Nombre del analito

3,5-Seco-A-norestran-3-oic Acid 17beta-Hydroxy-5-oxo-benzoate

Número CAS

122426-44-2

Fórmula molecular

C24H30O5

Peso molecular

398.49

Masa exacta

398.2093

SMILES

C[C@]12CC[C@H]3[C@@H](CCC(=O)[C@@H]3CCC(=O)O)[C@@H]1CC[C@@H]2OC(=O)c4ccccc4

InChI

InChI=1S/C24H30O5/c1-24-14-13-16-17(7-10-20(25)18(16)8-12-22(26)27)19(24)9-11-21(24)29-23(28)15-5-3-2-4-6-15/h2-6,16-19,21H,7-14H2,1H3,(H,26,27)/t16-,17+,18+,19-,21-,24-/m0/s1

IUPAC

3-[(3S,3aS,5aS,6R,9aR,9bS)-3-benzoyloxy-3a-methyl-7-oxo-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat