C34-phenolphthiodiolenone A

Chemical Formula:

C₃₄H₅₈O₄

Molecular Weight:

530.83 Daltons

Monoisotopic Mass:

530.4335103502 Daltons

SMILES:

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

InChI:

1S/C34H58O4/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/h20,24-27,32-33,35-37H,3-19,21-23,28H2,1-2H3/b29-20+/t32-,33-/m1/s1

InChIKey:

OMFBGGYXLXMADG-HGQMJTFUSA-N

Synonyms

(4E,9R,11R)-9,11-dihydroxy-27-(4-hydroxyphenyl)-4-methylheptacos-4-en-3-one

Databases

MetaCyc: CPD-18656

PubChem (CID): 122706286

MetaNetX: MNXM164638