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Dihydroxy bile acids, alcohols and derivatives

Description:

Compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Steroids and steroid derivatives ⮕ Bile acids, alcohols and derivatives ⮕ Hydroxy bile acids, alcohols and derivatives ⮕ Dihydroxy bile acids, alcohols and derivatives
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Items 13-24 of 44

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  1. Deoxycholic acid-d5
    Cas Number: 52840-14-9
    Formula:  C24H35D5O4        Molecular Weight: 397.6
    IUPAC Name:  (4R)-4-[(3R,5R,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,12-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey: KXGVEGMKQFWNSR-JTHHUVBGSA-N
    InChI:  InChI=1S/C24H40O4/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)/t14-,15show more
    Synonyms: Deoxycholic Acid-d5 | (4R)-4-[(3R,5R,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,12-dihydroxy-10,13-dimethyl-1,5,6...
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  2. 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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  3. 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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  4. 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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  5. 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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  6. Sodium deoxycholate
      Grade & Purity: 
    • 10mM in DMSO
    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: Sodium deoxycholate|Deoxycholic acid sodium salt|302-95-4|Sodium desoxycholate|Deoxycholate sodium|Desoxycholate sodi...
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  7. Deoxycholic acid
    Cas Number: 83-44-3        EC Number: 201-478-5
    Formula:  C24H40O4        Molecular Weight: 392.58
    IUPAC Name:  (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]phenanthren-1show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N
    InChI:  InChI=1S/C24H40O4/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)/t14-,15show more
    Synonyms: DEOXYCHOLIC ACID|83-44-3|deoxycholate|Desoxycholic acid|Cholerebic|Cholorebic|Choleic acid|Degalol|Deoxycholatic acid...
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  8. Deoxycholic acid
    Cas Number: 83-44-3        EC Number: 201-478-5
    Formula:  C24H40O4        Molecular Weight: 392.58
    IUPAC Name:  (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]phenanthren-1show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N
    InChI:  InChI=1S/C24H40O4/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)/t14-,15show more
    Synonyms: (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-tetradecahy...
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  9. Chenodeoxycholic acid
    Cas Number: 474-25-9
    Formula:  C24H40O4        Molecular Weight: 392.58
    IUPAC Name:  (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: RUDATBOHQWOJDD-BSWAIDMHSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
    Synonyms: (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)p...
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  10. Chenodeoxycholic acid-2,2,4,4-d4
      Grade & Purity: 
    • ≥98 atom% D,≥98%
    Cas Number: 99102-69-9
    Formula:  C24H36D4O4        Molecular Weight: 396.6
    IUPAC Name:  (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]show more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: RUDATBOHQWOJDD-PSTGXAJBSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
    Synonyms: Cholan-24-oic-2,2,4,4-d4 acid, 3,7-dihydroxy-, (3a,5b,7a)- | Chenodeoxycholic Acid-d4 | Chenodeoxycholic acid-D4, 100...
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  11. 7-Keto-3α,12-α-dihydroxycholanic Acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 911-40-0
    Formula:  C24H38O5        Molecular Weight: 406.57
    IUPAC Name:  (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrenshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C
    InChIKey: RHCPKKNRWFXMAT-RRWYKFPJSA-N
    InChI:  InChI=1S/C24H38O5/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/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29show more
    Synonyms: PD166097 | 7-Keto-3 alpha ,12- alpha -dihydroxycholanic Acid | DTXSID101314217 | 3 alpha,7 alpha-dihydroxy-7-keto-5 b...
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  12. 3-Oxocholic acid
    Cas Number: 2304-89-4
    Formula:  C24H38O5        Molecular Weight: 406.6
    IUPAC Name:  (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrenshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(=O)C4)C)O)O)C
    InChIKey: OEKUSRBIIZNLHZ-DJDNIQJZSA-N
    InChI:  InChI=1S/C24H38O5/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/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28show more
    Synonyms: 7a,12a-dihydroxy-3-oxo-5b-cholan-24-oate | 7alpha,12alpha-Dihydroxy-3-oxo-cholanoic acid | 3-Oxo-7a,12a-dihydroxy-5b-...
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