Products 31581-02-9

CAS 31581-02-9 is the registry number for Cinoxolone. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

3-phenylprop-2-enyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate (CAS 31581-02-9) is a chemical compound with the molecular formula C41H56O5 and a molecular weight of 628.9 g/mol. IUPAC name: 3-phenylprop-2-enyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate. InChIKey: QTPSNPBHOMYPHQ-DNZQTCPLSA-N.

Identity
Molecular formulaC41H56O5
Molecular weight628.9 g/mol
IUPAC name3-phenylprop-2-enyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
InChIKeyQTPSNPBHOMYPHQ-DNZQTCPLSA-N
SMILESCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)OCC=CC6=CC=CC=C6)C)C)C)C

Computed by PubChem (NCBI)