CAS Number
Molecular Formula
C27H46O5
Product format
Neat
Molecular Weight
450.66
API Family
Synonyms
INT-777; 1199796-29-6; S-EMCA; UTD8BCW6B8; 6alpha-Ethyl-23(S)-methylcholic acid; INT 777; (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; (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; RefChem:923460; CHEMBL567640; 6alpha-ethyl-23(S)-methyl-cholic acid; C27H46O5; UNII-UTD8BCW6B8; (2S, 4R)-4-[(3R, 5S, 6R, 7R, 8R, 9S, 10S, 12S, 13R, 14S, 17R)-6-ethyl-10, 13-dimethyl-3, 7, 12-tris(oxidanyl)-2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16 and 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid; 6A-Ethyl-23(S)-methylcholic acid; MFCD18837028; SCHEMBL593390; GTPL7048; INT777; orb1709405
Iupac Name
(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 and 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
InChI
InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1
