peregrinol diphosphate

Chemical Formula:

C₂₀H₃₅O₈P₂

Molecular Weight:

465.439 Daltons

Monoisotopic Mass:

468.2041912166 Daltons

SMILES:

CC(CCC2(O)(C1([CH](C(CCC1)(C)C)CCC(C)2)C))=CCOP([O-])(=O)OP([O-])([O-])=O

InChI:

1S/C20H38O8P2/c1-15(10-14-27-30(25,26)28-29(22,23)24)9-13-20(21)16(2)7-8-17-18(3,4)11-6-12-19(17,20)5/h10,16-17,21H,6-9,11-14H2,1-5H3,(H,25,26)(H2,22,23,24)/p-3/b15-10+/t16?,17-,19-,20+/m0/s1

InChIKey:

BXBWAHVSCRSIHO-MYELECPLSA-K

Synonyms

(13E)-9ξ-hydroxy-8a-labda-13-en-15-yl diphosphate

Databases

MetaCyc: CPD-20436

PubChem (CID): 131841512