C35-phenolphthiocerol A

Chemical Formula:

C₃₅H₆₄O₄

Molecular Weight:

548.888 Daltons

Monoisotopic Mass:

548.4804605428 Daltons

SMILES:

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

InChI:

1S/C35H64O4/c1-4-35(39-3)30(2)21-19-20-24-34(38)29-33(37)23-18-16-14-12-10-8-6-5-7-9-11-13-15-17-22-31-25-27-32(36)28-26-31/h25-28,30,33-38H,4-24,29H2,1-3H3/t30-,33+,34+,35+/m0/s1

InChIKey:

VWBMBYMZZRYHTK-XWISBFJWSA-N

Synonyms

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

Databases

MetaCyc: CPD-18578

PubChem (CID): 122706114

MetaNetX: MNXM164643