C34-phenolphthiodiolone A

Chemical Formula:

C₃₄H₆₀O₄

Molecular Weight:

532.846 Daltons

Monoisotopic Mass:

532.4491604144 Daltons

SMILES:

CCC(=O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)

InChI:

1S/C34H60O4/c1-3-34(38)29(2)20-18-19-23-33(37)28-32(36)22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-21-30-24-26-31(35)27-25-30/h24-27,29,32-33,35-37H,3-23,28H2,1-2H3/t29-,32+,33+/m0/s1

InChIKey:

HBMQNWQEQXLTRY-PHCUSUGSSA-N

Synonyms

(4S,9R,11R)-9,11-dihydroxy-27-(4-hydroxyphenyl)-4-methylheptacosan-3-one

Databases

MetaCyc: CPD-18655

PubChem (CID): 122706022

MetaNetX: MNXM164639