C31-phthiodiolone A

Chemical Formula:

C₃₁H₆₂O₃

Molecular Weight:

482.829 Daltons

Monoisotopic Mass:

482.4698958565 Daltons

SMILES:

CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(=O)CC

InChI:

1S/C31H62O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(32)27-30(33)26-23-22-24-28(3)31(34)5-2/h28-30,32-33H,4-27H2,1-3H3/t28-,29+,30+/m0/s1

InChIKey:

OJXHOAIVMAMTDD-FRXPANAUSA-N

Synonyms

9,11-dihydroxy-4-methyl-triacontan-3-one

Databases

MetaCyc: CPD-18627

PubChem (CID): 122706452

MetaNetX: MNXM164628