(13S)-isotuberculosinol

Chemical Formula:

C₂₀H₃₄O

Molecular Weight:

290.488 Daltons

Monoisotopic Mass:

290.2609657135 Daltons

SMILES:

C=CC(C)(O)CCC1(C)(C(C)CC=C2(C(C)(C)CCC[CH]12))

InChI:

1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19+,20+/m0/s1

InChIKey:

TXBORCBWDUAHAC-JQERWDHBSA-N

Synonyms

Databases

MetaCyc: CPD-13850

KEGG: C19964

PubChem (CID): 56927801

MetaboLights: MTBLC63180

ChEBI: 63180

Seed: cpd21203

MetaNetX: MNXM5355