Cas no 1161927-13-4 ((5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione)

(5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione structure
1161927-13-4 structure
Product Name:(5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione
CAS No:1161927-13-4
MF:C19H28O3
MW:304.423826217651
CID:5689249
Update Time:2024-02-03

(5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione Chemical and Physical Properties

Names and Identifiers

    • (5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione
    • Inchi: 1S/C19H28O3/c1-18-10-8-17(21)22-11-12(18)3-4-13-14-5-6-16(20)19(14,2)9-7-15(13)18/h12-15H,3-11H2,1-2H3/t12-,13-,14-,15-,18-,19-/m0/s1
    • InChI Key: HINDFOZBAPIPOX-VRBUCKFRSA-N
    • SMILES: O1C(=O)CC[C@]2(C)[C@]3([H])[C@]([H])([C@]4([H])CCC(=O)[C@@]4(C)CC3)CC[C@@]2([H])C1

Experimental Properties

  • Density: 1.103±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Melting Point: 233 °C
  • Boiling Point: 456.2±45.0 °C(Predicted)

(5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: NADP Catalysts: Glucose 6-phosphate dehydrogenase Solvents: Water ;  1 d, 25 °C
Reference
Enzymatic Baeyer-Villiger oxidation of steroids with cyclopentadecanone monooxygenase
Beneventi, Elisa; Ottolina, Gianluca; Carrea, Giacomo; Panzeri, Walter; Fronza, Giovanni; et al, Journal of Molecular Catalysis B: Enzymatic, 2009, 58(1-4), 164-168

(5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione Raw materials

(5aR,5bS,7aS,10aS,10bR,12aR)-Tetradecahydro-5a,7a-dimethyl-1H-cyclopenta[5,6]naphth[2,1-c]oxepin-3,8-dione Preparation Products

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