1-deoxy-11-oxopentalenate

Chemical Formula:

C₁₅H₁₉O₃

Molecular Weight:

247.313 Daltons

Monoisotopic Mass:

248.1412445083 Daltons

SMILES:

CC1(C(=O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))

InChI:

1S/C15H20O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9-,11+,15-/m1/s1

InChIKey:

QNHNMKVZFMGGJB-LIEMUPCESA-M

Synonyms

1-deoxy-11-oxopentalenoic acid
(1S,3aR,5aS)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate

Databases

MetaCyc: CPD-13625

PubChem (CID): 38356048

ChEBI: 70780

Seed: cpd23969

MetaNetX: MNXM7994

KEGG: C20400