stigmasterol
Chemical Formula:
C29H48O
Molecular Weight:
412.698 Daltons
Monoisotopic Mass:
412.3705161629 Daltons
SMILES:
CCC(C(C)C)C=CC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
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-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-4162
RefMet:
Stigmasterol
PubChem (CID):
5280794
ChEBI:
28824
HMDB:
HMDB00937
KEGG:
C05442
Seed:
cpd03225
MetaNetX:
MNXM6385