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Hydroxy bile acids, alcohols and derivatives

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  1. Ursocholic Acid
    Cas Number: 2955-27-3
    Formula:  C24H40O5        Molecular Weight: 408.57
    IUPAC Name:  (4R)-4-[(3R,5S,7S,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-UTLSPDKDSA-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: 3alpha,7beta,12alpha-trihydroxy-5beta-cholanoic acid | 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-TRIHYDROXY-10,13-DIMETHYL-2,3...
  2. 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...
  3. Sodium Cholate
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 361-09-1
    Formula:  C24H39NaO5        Molecular Weight: 430.56
    IUPAC Name:  sodium;(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-cyclopenta[a]show more
    SMILES:  CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
    InChIKey: NRHMKIHPTBHXPF-TUJRSCDTSA-M
    InChI:  InChI=1S/C24H40O5.Na/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,28,2show more
    Synonyms: CHOLICACIDSODIUMSALT | Cholic acid sodium salt | HY-N0324A | CCRIS 643 | Cholic acid sodium salt, 97+% (dry basis), U...
  4. Methyl cholate
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 1448-36-8
    Formula:  C25H42O5        Molecular Weight: 422.61
    IUPAC Name:  methyl (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-cyclopenta[a]show more
    SMILES:  CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: DLYVTEULDNMQAR-SRNOMOOLSA-N
    InChI:  InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+show more
    Synonyms: Methyl cholate|1448-36-8|CHOLIC ACID METHYL ESTER|Cholic acid, methyl ester|E1P59HQX4Q|Cholan-24-oic acid, 3,7,12-tri...
  5. Hyocholic Acid
      Grade & Purity: 
    • ≥95%
    Cas Number: 547-75-1
    Formula:  C24H40O5        Molecular Weight: 408.57
    IUPAC Name:  (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
    InChIKey: DKPMWHFRUGMUKF-KWXDGCAGSA-N
    InChI:  InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26show more
    Synonyms: Hyocholic acid|547-75-1|gamma-Muricholic acid|Iocholic acid|3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid|...
  6. Hyocholic Acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 547-75-1
    Formula:  C24H40O5        Molecular Weight: 408.57
    IUPAC Name:  (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
    InChIKey: DKPMWHFRUGMUKF-KWXDGCAGSA-N
    InChI:  InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26show more
    Synonyms: gamma-Muricholate | C17649 | DKPMWHFRUGMUKF-KWXDGCAGSA-N | DTXSID20862167 | (3alpha,5beta,6alpha,7alpha)-3,6,7-Trihyd...
  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...
  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...
  9. Cholic acid
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 81-25-4        EC Number: 201-337-8
    Formula:  C24H40O5        Molecular Weight: 408.57
    IUPAC Name:  (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-cyclopenta[a]phenantshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: BHQCQFFYRZLCQQ-OELDTZBJSA-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|81-25-4|Cholalic acid|cholate|Colalin|Cholalin|Cholsaeure|Cholbam|cholicacid|kolbam|NSC-6135|3alpha,7alph...
  10. Cholic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 81-25-4        EC Number: 201-337-8
    Formula:  C24H40O5        Molecular Weight: 408.57
    IUPAC Name:  (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-cyclopenta[a]phenantshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    InChIKey: BHQCQFFYRZLCQQ-OELDTZBJSA-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: 5b-Cholic acid | 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy- | cholicacid | cholic-acid | MFCD0000367...
  11. 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...
  12. 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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