baruol

Chemical Formula:

C₃₀H₅₀O

Molecular Weight:

426.724 Daltons

Monoisotopic Mass:

426.3861662271 Daltons

SMILES:

CC(C)=CCCC1(C)(CC2(C)(C(C)(CC1)[CH]3(C(C)(CC2)[CH]4(C(=CC3)C(C)(C)C(O)CC4))))

InChI:

1S/C30H50O/c1-21(2)10-9-15-27(5)16-19-30(8)24-13-11-22-23(12-14-25(31)26(22,3)4)29(24,7)18-17-28(30,6)20-27/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25+,27-,28+,29+,30-/m1/s1

InChIKey:

XJJAVFWIAXATMT-KNUFMLCHSA-N

Synonyms

D:B-friedo-baccharan-5,21-dien-3-ol

Databases

MetaCyc: CPD-10308

MetaboLights: MTBLC63712

KEGG: C20200

ChEBI: 63712

PubChem (CID): 25203718

Seed: cpd21433

MetaNetX: MNXM5632