C33-phthiodiolone A

Chemical Formula:

C₃₃H₆₆O₃

Molecular Weight:

510.883 Daltons

Monoisotopic Mass:

510.5011959849 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(=O)CC

InChI:

1S/C33H66O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(34)29-32(35)28-25-24-26-30(3)33(36)5-2/h30-32,34-35H,4-29H2,1-3H3/t30-,31+,32+/m0/s1

InChIKey:

LSASFXRIJLRCGG-DCMFLLSESA-N

Synonyms

9,11-dihydroxy-4-methyldotriacontan-3-one

Databases

MetaCyc: CPD-18629

PubChem (CID): 122706175

MetaNetX: MNXM164634