C36-phenolphthiotriol A

Chemical Formula:

C₃₆H₆₆O₄

Molecular Weight:

562.915 Daltons

Monoisotopic Mass:

562.496110607 Daltons

SMILES:

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

InChI:

1S/C36H66O4/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/h26-29,31,34-40H,3-25,30H2,1-2H3/t31-,34+,35+,36+/m0/s1

InChIKey:

IABNHFIYGZWRGD-KHCOHBKDSA-N

Synonyms

(3R,4S,9R,11R)-29-(4-hydroxyphenyl)-4-methylnonacosane-3,9,11-triol

Databases

MetaCyc: CPD-18695

PubChem (CID): 122706293

MetaNetX: MNXM164646