taxa-4(20),11-dien-5-α-yl acetate

Chemical Formula:

C₂₂H₃₄O₂

Molecular Weight:

330.509 Daltons

Monoisotopic Mass:

330.2558803356 Daltons

SMILES:

CC2(CC[CH]1(C[CH]3(C(C)(CCC(C(C)(C)1)=2)CCC(OC(=O)C)C(=C)3)))

InChI:

1S/C22H34O2/c1-14-7-8-17-13-19-15(2)20(24-16(3)23)10-12-22(19,6)11-9-18(14)21(17,4)5/h17,19-20H,2,7-13H2,1,3-6H3/t17-,19+,20-,22+/m0/s1

InChIKey:

APIZAZFFQBVSJA-ZJDLJICXSA-N

Databases

MetaCyc: TAXA-42011-DIEN-5-ALPHA-YL-ACETATE

MetaboLights: MTBLC30042

LIPID MAPS: LMPR0104390004

ChEBI: 30042

ChemSpider: 391699

PubChem (CID): 443486

KEGG: C11896

Seed: cpd08694

MetaNetX: MNXM1951