C36-phenolphthiodiolone A

Chemical Formula:

C₃₆H₆₄O₄

Molecular Weight:

560.899 Daltons

Monoisotopic Mass:

560.4804605428 Daltons

SMILES:

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

InChI:

1S/C36H64O4/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/h26-29,31,34-35,37-39H,3-25,30H2,1-2H3/t31-,34+,35+/m0/s1

InChIKey:

LLEWYOVMVQFIAN-FSRLPRDNSA-N

Synonyms

(4S,9R,11R)-9,11-dihydroxy-29-(4-hydroxyphenyl)-4-methylnonacosan-3-one

Databases

MetaCyc: CPD-18694

PubChem (CID): 122706084

MetaNetX: MNXM164645