C37-phenolphthiocerol A

Chemical Formula:

C₃₇H₆₈O₄

Molecular Weight:

576.942 Daltons

Monoisotopic Mass:

576.5117606712 Daltons

SMILES:

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

InChI:

1S/C37H68O4/c1-4-37(41-3)32(2)23-21-22-26-36(40)31-35(39)25-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-33-27-29-34(38)30-28-33/h27-30,32,35-40H,4-26,31H2,1-3H3/t32-,35+,36+,37+/m0/s1

InChIKey:

GDIGGEUWHKJEEK-OBSFXCBMSA-N

Synonyms

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

Databases

MetaCyc: CPD-18658

PubChem (CID): 122706458

MetaNetX: MNXM167363