α-onocerin

Chemical Formula:

C₃₀H₅₀O₂

Molecular Weight:

442.724 Daltons

Monoisotopic Mass:

442.3810808492 Daltons

SMILES:

C=C2(CC[CH]1(C(C)(C)C(O)CCC(C)1[CH]2CC[CH]4(C3(C)(CCC(O)C(C)(C)[CH]3CCC4=C))))

InChI:

1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1

InChIKey:

GESZMTVZGWZBPW-IHIDZKKCSA-N

Synonyms

8,14-secogammacera-8(26),14(27)-diene-3β,21α-diol

Databases

MetaCyc: CPD-20475

ChEBI: 138303

KEGG: C21734

PubChem (CID): 11453544