Analyte Name

(20S)-Stigmasterol

CAS Number

130061-66-4

Molecular Formula

C29H48O

Molecular Weight

412.69

Accurate Mass

412.37

SMILES

C[C@](/C=C/[C@@H](CC)C(C)C)([H])[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

InChI

InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1

IUPAC

(3S,8S,9S,10R,13R,14S,17R)-17-((2S,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Country of Origin

CANADA

Product Format

Neat