C36-phenolphthiodiolenone A

Chemical Formula:

C₃₆H₆₂O₄

Molecular Weight:

558.883 Daltons

Monoisotopic Mass:

558.4648104786 Daltons

SMILES:

CCC(=O)C(C)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)

InChI:

1S/C36H62O4/c1-3-36(40)31(2)22-20-21-25-35(39)30-34(38)24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23-32-26-28-33(37)29-27-32/h22,26-29,34-35,37-39H,3-21,23-25,30H2,1-2H3/b31-22+/t34-,35-/m1/s1

InChIKey:

KZXRFXYFKHFOCJ-CGCKAVPNSA-N

Synonyms

(4E,9R,11R)-9,11-dihydroxy-29-(4-hydroxyphenyl)-4-methylnonacos-4-en-3-one

Databases

MetaCyc: CPD-18660

PubChem (CID): 122706416

MetaNetX: MNXM164644