Ursodeoxycholic Acid Methyl Ester

For research use only. Not for therapeutic Use.

  • CAT Number: R004923
  • CAS Number: 10538-55-3
  • Molecular Formula: C25H42O4
  • Molecular Weight: 406.607
  • Purity: ≥95%
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Catalog Number R004923
CAS Number 10538-55-3
Synonyms

(3α,5β,7β)-3,7-Dihydroxycholan-24-oic Acid Methyl Ester; 3α,7β-Dihydroxy-5β-?cholanic Acid Methyl Ester; Methyl 3α,7β-Dihydroxy-5β-cholanoate; Methyl Ursodeoxycholate;

Molecular Formula C25H42O4
Purity ≥95%
Storage -20°C
IUPAC Name methyl (4R)-4-[(3R,5S,7S,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-yl]pentanoate
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+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey GRQROVWZGGDYSW-ZQMFMVRBSA-N
SMILES CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

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