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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 1-12 of 107

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  1. Cholic Acid 7-sulfate
      Grade & Purity: 
    • ≥98%
    Cas Number: 60320-05-0        Compound CID:  459070
    IUPAC Name:  (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[ashow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)OS(=O)(=O)O)O)C
    InChIKey: RRVLNNMINXAIKC-OELDTZBJSA-N
    InChI:  InChI=1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3Hshow more
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  2. Norcholic Acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 60696-62-0        Compound CID:  158738
    Formula:  C23H38O5        Molecular Weight: 394.54
    IUPAC Name:  (3R)-3-[(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-cyclopenta[a]phenantshow more
    SMILES:  CC(CC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: SHUYNJFEXPRUGR-RTCCEZQESA-N
    InChI:  InChI=1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12-show more
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  3. Bigchap
      Grade & Purity: 
    • ≥98%
    Cas Number: 86303-22-2        Compound CID:  9919170
    Formula:  C42H75N3O16        Molecular Weight: 878.07
    IUPAC Name:  (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)show more
    SMILES:  CC(CCC(=O)N(CCCNC(=O)C(C(C(C(CO)O)O)O)O)CCCNC(=O)C(C(C(C(CO)O)O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: ZWEVPYNPHSPIFU-AUGHYPCGSA-N
    InChI:  InChI=1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)2show more
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  4. Sodium deoxycholate monohydrate
    Cas Number: 145224-92-6        EC Number: 206-132-7        Compound CID:  23679071
    Formula:  C24H39NaO4 · H2O        Molecular Weight: 432.57
    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.O.[Na+]
    InChIKey: NDVHNZISGVSFMP-WTCAICSISA-M
    InChI:  InChI=1S/C24H40O4.Na.H2O/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,27,28show more
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  5. Sodium deoxycholate monohydrate
    Cas Number: 145224-92-6        EC Number: 206-132-7        Compound CID:  23679071
    Formula:  C24H39NaO4 · H2O        Molecular Weight: 432.57
    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.O.[Na+]
    InChIKey: NDVHNZISGVSFMP-WTCAICSISA-M
    InChI:  InChI=1S/C24H40O4.Na.H2O/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,27,28show more
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  6. MethylChenodeoxycholate
      Grade & Purity: 
    • ≥95%(GC)
    Cas Number: 3057-04-3        Compound CID:  11069533
    Formula:  C25H42O4        Molecular Weight: 406.6
    IUPAC Name:  methyl (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]phenanthshow more
    SMILES:  CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
    InChIKey: GRQROVWZGGDYSW-IFJDUOSNSA-N
    InChI:  InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17show more
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  7. 3β-Cholic Acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 3338-16-7
    Formula:  C24H40O5        Molecular Weight: 408.57
    IUPAC Name:  (4R)-4-[(3S,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-cyclopenta[a]phenantshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: BHQCQFFYRZLCQQ-UXWVVXDJSA-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
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  8. 3alpha，12beta-Dihydroxy-5beta-cholan-24-oic Acid
      Grade & Purity: 
    • ≥96%
    Cas Number: 570-62-7
    Formula:  C24H40O4        Molecular Weight: 392.6
    IUPAC Name:  (4R)-4-[(3R,5R,8R,9S,10S,12R,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-MFSKYVBHSA-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
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  9. Isolithocholic acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 1534-35-6
    Formula:  C24H40O3        Molecular Weight: 376.57
    IUPAC Name:  (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
    InChIKey: SMEROWZSTRWXGI-WFVDQZAMSA-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
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  10. Squalamine lactate hydrate
    Formula:  C37H73N3O9S        Molecular Weight: 736.1
    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.CC(C(=O)O)O.O
    InChIKey: ZPYIELFRIYUVQP-BHBJEIPNSA-N
    InChI:  InChI=1S/C34H65N3O5S.C3H6O3.H2O/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)37-20-8-19-3show more
    Synonyms: Squalamine lactate hydrate | SQUALAMINE LACTATE [WHO-DD] | Squalamine lactate [USAN] | CHOLESTANE-7,24-DIOL, 3-((3-((...
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  11. 3-Deoxycholic acid
    Cas Number: 566-17-6        Compound CID:  164672
    Formula:  C24H40O4        Molecular Weight: 392.6
    IUPAC Name:  (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-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:  OC(=O)CC[C@@H](C)[C@]1([H])[C@]2(C)[C@](CC1)([H])[C@@]3([H])[C@@](C[C@@H]2O)([H])[C@]4(C)[C@](CCCC4)([H])C[C@H]3O
    InChIKey: ZHCAAZIHTDCFJX-QLEQUTGBSA-N
    InChI:  InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-show more
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  12. methyl (4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
    Cas Number: 14772-96-4        Compound CID:  11014973
    Formula:  C25H40O4        Molecular Weight: 404.6
    IUPAC Name:  methyl (4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1show more
    SMILES:  COC(=O)CC[C@@H](C)[C@]1([H])[C@]2(C)[C@](CC1)([H])[C@@]3([H])[C@@](CC2)([H])[C@]4(C)[C@@](CC(=O)CC4)([H])C[C@H]3O
    InChIKey: XHRLTYUHWGHDCJ-MVWLGPLQSA-N
    InChI:  InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-21,23,27H,5-14H2,1-4H3/t15-,16-show more
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