ursodeoxycholate methyl ester

Chemical Formula:

C₂₅H₄₂O₄

Molecular Weight:

406.604 Daltons

Monoisotopic Mass:

406.604 Daltons

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

Synonyms

3α,7β-dihydroxy-5β-cholan-24-oic methyl ester
24-O-methylursodeoxycholic acid

Databases

CAS: 10538-55-3

PubChem (CID): 9801465

MetaCyc: CPD-22299