pre-α-onocerin

Chemical Formula:

C₃₀H₅₀O₂

Molecular Weight:

442.724 Daltons

Monoisotopic Mass:

442.3810808492 Daltons

SMILES:

CC(=CCC[CH]2(C(=C)CC[CH]1(C(C)(C)C(O)CCC(C)12)))CCC=C(CC[CH]3(OC(C)(C)3))C

InChI:

1S/C30H50O2/c1-21(11-9-12-22(2)15-18-27-29(6,7)32-27)13-10-14-24-23(3)16-17-25-28(4,5)26(31)19-20-30(24,25)8/h12-13,24-27,31H,3,9-11,14-20H2,1-2,4-8H3/b21-13+,22-12+/t24-,25-,26-,27-,30+/m0/s1

InChIKey:

YOXYJGZFQYXPHZ-AEBUGLRVSA-N

Synonyms

(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol

Databases

MetaCyc: CPD-20474

ChEBI: 138305

KEGG: C21733

PubChem (CID): 129626739