lupeol

Chemical Formula:

C₃₀H₅₀O

Molecular Weight:

426.724 Daltons

Monoisotopic Mass:

426.3861662271 Daltons

SMILES:

C=C(C)C5(CCC4(C)(CCC3(C)([CH](CC[CH]2(C1([CH](C(C)(C)C(CC1)O)CCC(C)23)(C)))[CH]45)))

InChI:

1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1

InChIKey:

MQYXUWHLBZFQQO-QGTGJCAVSA-N

Synonyms

lupenol
farganasterol
clerodol
monogynol B

Databases

MetaCyc: CPD-90

MetaboLights: MTBLC6570

ChemSpider: 228079

ChEBI: 6570

PubChem (CID): 259846

KEGG: C08628

Seed: cpd05535

MetaNetX: MNXM4039

CAS: 545-47-1