α-seco-amyrin
Chemical Formula:
C30H50O
Molecular Weight:
426.724 Daltons
Monoisotopic Mass:
426.3861662271 Daltons
SMILES:
CC3(C(C)[CH]4(C(CC[CH]2(C1(CCC(C([CH]1CC=C2C)(C)C)O)C))=C(CCC(CC3)4C)C))
InChI:
1S/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13882
KEGG:
C20191
PubChem (CID):
56927728
ChEBI:
63464
MetaNetX:
MNXM5054