1-deoxy-11β-hydroxypentalenate

Chemical Formula:

C₁₅H₂₁O₃

Molecular Weight:

249.329 Daltons

Monoisotopic Mass:

250.1568945725 Daltons

SMILES:

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

InChI:

1S/C15H22O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9-,11+,12-,15-/m1/s1

InChIKey:

IZHNAGBQRXWHMT-QLLAZOAUSA-M

Synonyms

11β-hydroxy-1-deoxypentalenic acid
11β-hydroxy-1-deoxypentalenate
(1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate

Databases

MetaCyc: CPD-13620

PubChem (CID): 70679015

ChEBI: 70779

Seed: cpd23964

MetaNetX: MNXM9677

KEGG: C20403