(3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-one

Chemical Formula:

C₂₂H₄₄O₆

Molecular Weight:

404.586 Daltons

Monoisotopic Mass:

404.313789145 Daltons

SMILES:

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

InChI:

1S/C22H44O6/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-16,18-22,24-28H,5-14H2,1-4H3/t15-,16+,18+,19+,20-,21-,22+/m0/s1

InChIKey:

NYWGYGGFNSPMLY-GXKXQWPPSA-N

Databases

MetaCyc: CPD-13184

ChEBI: 133941

PubChem (CID): 101956199

Seed: cpd23770

MetaNetX: MNXM7926