Molecular formula: | C27H46O5 |
Average mass: | 450.660 |
Monoisotopic mass: | 450.334525 |
ChemSpider ID: | 24531963 |
13 of 13 defined stereocentres
(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-Ethyl-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
[ACD/IUPAC Name](2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-Ethyl-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid (non-preferred name)
(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-Ethyl-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentansäure
[German]
[ACD/IUPAC Name]1199796-29-6
[RN]Acide (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-éthyl-3,7,12-trihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-2-méthylpentanoïque
[French]
[ACD/IUPAC Name]UTD8BCW6B8
[UNII](2S,4R)-4-((3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-Ethyl-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylpentanoic acid
(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-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]phenanthren-17-yl]-2-methylpentanoic acid
(3α,5β,6α,7α,12α,23S)-6-ethyl-3,7,12-trihydroxy-cholane-23-carboxylic acid
(S)-EMCA
6A-Ethyl-23(S)-methylcholic acid
6α-ethyl-23(<i>S</i>)-methyl-cholic acid
Bile acid receptor
G-protein coupled bile acid receptor 1
GPBAR_HUMAN
GPBAR_MOUSE
MFCD18837028
[MDL number]NR1H4_HUMAN
S-EMCA
S-EMCA;INT777;INT 777