C34-carboxyphthiodiolenone

Chemical Formula:

C₃₄H₆₃O₅

Molecular Weight:

551.869 Daltons

Monoisotopic Mass:

552.4753751649 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)C(C)C([O-])=O

InChI:

1S/C34H64O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-31(35)28-32(36)27-24-23-25-29(2)33(37)30(3)34(38)39/h25,30-32,35-36H,4-24,26-28H2,1-3H3,(H,38,39)/p-1/b29-25+/t30?,31-,32-/m1/s1

InChIKey:

IVCULXQLDUJYOK-MDGBNMDXSA-M

Synonyms

(4E,9R,11R)-9,11-dihydroxy-2,4-dimethyl-3-oxodotriacont-4-enoate

Databases

MetaCyc: CPD-18672

PubChem (CID): 122706468

MetaNetX: MNXM164636