Cas no 25814-84-0 ([(5R,8R,9S,10S,13R,14S,15S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] acetate)

[(5R,8R,9S,10S,13R,14S,15S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] acetate structure
25814-84-0 structure
Product Name:[(5R,8R,9S,10S,13R,14S,15S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] acetate
CAS No:25814-84-0
MF:C21H34O2
MW:318.493466854095
CID:2661503
Update Time:2023-08-06

[(5R,8R,9S,10S,13R,14S,15S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] acetate Chemical and Physical Properties

Names and Identifiers

    • 15α-Acetoxy-5α-androstane
    • 15alpha-Acetoxy-5alpha-androstane
    • [(5R,8R,9S,10S,13R,14S,15S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclo
    • [(5R,8R,9S,10S,13R,14S,15S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] acetate
    • Inchi: 1S/C21H34O2/c1-14(22)23-18-10-13-20(2)12-9-17-16(19(18)20)8-7-15-6-4-5-11-21(15,17)3/h15-19H,4-13H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+/m1/s1
    • InChI Key: NWDIDMNFQVKRNU-RQMSYUQLSA-N
    • SMILES: O(C(C)=O)[C@H]1CC[C@@]2(C)CC[C@@H]3[C@@]4(C)CCCC[C@@H]4CC[C@H]3[C@@H]21

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 486
  • Topological Polar Surface Area: 26.3
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