10β-hydroxytaxa-4(20),11-dien-5α-yl acetate

Chemical Formula:

C₂₂H₃₄O₃

Molecular Weight:

346.509 Daltons

Monoisotopic Mass:

346.2507949577 Daltons

SMILES:

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

InChI:

1S/C22H34O3/c1-13-7-8-16-11-17-14(2)19(25-15(3)23)9-10-22(17,6)12-18(24)20(13)21(16,4)5/h16-19,24H,2,7-12H2,1,3-6H3/t16-,17+,18-,19-,22-/m0/s1

InChIKey:

BMPKIAPYMZISRD-PQTWGXLHSA-N

Databases

MetaCyc: 10-BETA-HYDROXYTAXA-42011-DIEN-5-ALPH

MetaboLights: MTBLC50436

LIPID MAPS: LMPR0104390006

ChemSpider: 391701

PubChem (CID): 443488

ChEBI: 50436

KEGG: C11898

Seed: cpd08696

MetaNetX: MNXM1618