C34-phenolphthiotriol A

Chemical Formula:

C₃₄H₆₂O₄

Molecular Weight:

534.861 Daltons

Monoisotopic Mass:

534.4648104786 Daltons

SMILES:

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

InChI:

1S/C34H62O4/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/h24-27,29,32-38H,3-23,28H2,1-2H3/t29-,32+,33+,34+/m0/s1

InChIKey:

VVPCVZFMTFYBFJ-KXSUPTTBSA-N

Synonyms

(3R,4S,9R,11R)-27-(4-hydroxyphenyl)-4-methylheptacosane-3,9,11-triol

Databases

MetaCyc: CPD-18654

PubChem (CID): 122706298

MetaNetX: MNXM164640