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Hydroxy bile acids, alcohols and derivatives

Description:

Bile acids, alcohols or derivatives bearing at least hydroxyl group.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Steroids and steroid derivatives ⮕ Bile acids, alcohols and derivatives ⮕ Hydroxy bile acids, alcohols and derivatives
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Items 25-36 of 107

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  1. S-EMCA
    Cas Number: 1199796-29-6        Compound CID:  45483949
    Formula:  C27H46O5        Molecular Weight: 450.65
    IUPAC Name:  (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopshow more
    SMILES:  CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC(C)C(=O)O)C)O)C)O
    InChIKey: NPBCMXATLRCCLF-IRRLEISYSA-N
    InChI:  InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31show more
    Synonyms: FX0 | 6alpha-Ethyl-23(S)-methylcholic acid | 6alpha-ethyl-23(S)-methyl-cholic acid | 6alpha-ethyl-23(s)-methyl-3alpha...
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  2. squalamine
    Cas Number: 148717-90-2        Compound CID:  72495
    IUPAC Name:  [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecashow more
    SMILES:  CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCN)C)O)C)OS(=O)(=O)O
    InChIKey: UIRKNQLZZXALBI-MSVGPLKSSA-N
    InChI:  InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17show more
    Synonyms: AKOS030526099 | [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dim...
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  3. INT-767
    SMILES:  CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOS(=O)(=O)[O-])C
    InChIKey: XGIYOABXZNJOHV-APIYUPOTSA-M
    InChI:  InChI=1S/C25H44O6S/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30/h15-23,26-27H,5-14H2,1-4H3,(H,2show more
    Synonyms: INT767
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  4. 7α,27-dihydroxycholesterol
    Cas Number: 144300-24-3        Compound CID:  15907756
    Formula:  C27H46O3        Molecular Weight: 418.65
    IUPAC Name:  (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenshow more
    SMILES:  OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C
    InChIKey: RXMHNAKZMGJANZ-GNENNHQYSA-N
    InChI:  InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3show more
    Synonyms: 7α, 27-OHC
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  5. CHAPS
      Grade & Purity: 
    • ≥99%
    Cas Number: 75621-03-3
    Formula:  C32H58N2O7S        Molecular Weight: 614.88
    IUPAC Name:  3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cycshow more
    SMILES:  CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: UMCMPZBLKLEWAF-BCTGSCMUSA-N
    InChI:  InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36show more
    Synonyms: 1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-y...
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  6. CHAPSO
    Cas Number: 82473-24-3        Compound CID:  122145
    Formula:  C32H58N2O8S        Molecular Weight: 630.88
    IUPAC Name:  3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cycshow more
    SMILES:  CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: GUQQBLRVXOUDTN-XOHPMCGNSA-N
    InChI:  InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30show more
    Synonyms: 3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propane sulfonate | SCHEMBL594591 | A864403 | DTXSID901002705 | 3-...
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  7. CHAPS solution
      Grade & Purity: 
    • ~100 mM in H2O
    Cas Number: 75621-03-3
    Formula:  C32H58N2O7S        Molecular Weight: 614.88
    IUPAC Name:  3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cycshow more
    SMILES:  CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: UMCMPZBLKLEWAF-BCTGSCMUSA-N
    InChI:  InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36show more
    Synonyms: 1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-y...
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  8. Lithocholic acid-2,2,4,4-d₄
      Grade & Purity: 
    • ≥98 atom% D,≥95%
    Cas Number: 83701-16-0
    Formula:  C24H36D4O3        Molecular Weight: 380.60
    IUPAC Name:  (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenantshow more
    SMILES:  [H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O
    InChIKey: SMEROWZSTRWXGI-POXZWENPSA-N
    InChI:  InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,show more
    Synonyms: (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-H)-1H-cyclopenta[a]phenanthr...
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  9. Sodium deoxycholate
      Grade & Purity: 
    • ≥97%
    Cas Number: 302-95-4        EC Number: 206-132-7        Compound CID:  23668196
    Formula:  C24H39O4Na        Molecular Weight: 414.56
    IUPAC Name:  sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanshow more
    SMILES:  CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
    InChIKey: FHHPUSMSKHSNKW-SMOYURAASA-M
    InChI:  InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;show more
    Synonyms: Kybella | sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate | Deoxycholic acid sodium salt | HY-N0593A | Na-...
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  10. Sodium deoxycholate
      Grade & Purity: 
    • Suitable for manufacturing of diagnostic kits and reagents
    Cas Number: 302-95-4        EC Number: 206-132-7        Compound CID:  23668196
    Formula:  C24H39O4Na        Molecular Weight: 414.56
    IUPAC Name:  sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanshow more
    SMILES:  CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
    InChIKey: FHHPUSMSKHSNKW-SMOYURAASA-M
    InChI:  InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;show more
    Synonyms: Kybella | sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate | Deoxycholic acid sodium salt | HY-N0593A | Na-...
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  11. Cholic acid-2,2,4,4-d₄
      Grade & Purity: 
    • ≥98 atom% D,≥98%
    Cas Number: 116380-66-6
    Formula:  C24D4H36O5        Molecular Weight: 412.6
    IUPAC Name:  (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycloshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: BHQCQFFYRZLCQQ-YFEOEUIKSA-N
    InChI:  InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/tshow more
    Synonyms: Cholic acid-2,2,4,4-d4 | SCHEMBL1330982 | 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLANIC ACID-D4 | CHOLAN-24-OIC-2,2...
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  12. cholest-5-ene-3β,24(R)-diol
      Grade & Purity: 
    • ≥99%
    Cas Number: 27460-26-0
    Formula:  C27H46O2        Molecular Weight: 402.7
    IUPAC Name:  (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenantshow more
    SMILES:  CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O
    InChIKey: IOWMKBFJCNLRTC-RNCHBCSGSA-N
    InChI:  InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-show more
    Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-do...
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