CAS: 246529-22-6 - Aramchol
Formula:C44H79NO5
InChI:InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1
InChI key:InChIKey=SHKXZIQNFMOPBS-OOMQYRRCSA-N
SMILES:O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(NC(=O)CCCCCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C
- Synonyms:
- (3β)-Arachidylamido-7α,12α-dihydroxy-5β-cholan-24-oic acid
- (3β,5β,7α,12α)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]cholan-24-oic acid
- (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- C<sub>20</sub>-FABAC
- Cholan-24-oic acid, 7,12-dihydroxy-3-[(1-oxoeicosyl)amino]-, (3β,5β,7α,12α)-