(+)-kolavenyl diphosphate

Chemical Formula:

C₂₀H₃₃O₇P₂

Molecular Weight:

447.424 Daltons

Monoisotopic Mass:

450.1936265303 Daltons

SMILES:

CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C)([CH]2(C(C)(CCC(C)1)C(C)=CCC2))

InChI:

1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t17-,18-,19+,20+/m0/s1

InChIKey:

LKJRXYMJDDAXEN-LZLHAIBVSA-K

Synonyms

(2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate

Databases

MetaCyc: CPD-20430

ChEBI: 138311

PubChem (CID): 129626742