3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate

3-[(3a<i>S</i>,4<i>S</i>,7a<i>S</i>)-7a-methyl-1,5-dioxo-octahydro-1<i>H</i>-inden-4-yl]propanoate




Chemical Formula:
C13H17O4
Molecular Weight:
237.275 Daltons
Monoisotopic Mass:
238.1205090662 Daltons
SMILES:
CC12(CCC(=O)C(CCC(=O)[O-])[CH](CCC(=O)1)2)
InChI:
1S/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/p-1/t8-,9-,13-/m0/s1
InChIKey:
PCCFNLPWOFTZPJ-RVBZMBCESA-M

Synonyms
  • 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
  • 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate
  • HIP

Databases
MetaCyc:  CPD-13711
PubChem (CID):  15944652
ChEBI:  63692
Seed:  cpd21432
MetaNetX:  MNXM5033
KEGG:  C20199