Cas no 25814-74-8 ([(4S,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate)

[(4S,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate structure
25814-74-8 structure
Product Name:[(4S,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
CAS No:25814-74-8
MF:C21H34O2
MW:318.493466854095
CID:2661499
Update Time:2023-08-06

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

Names and Identifiers

    • 4β-Acetoxy-5α-androstane
    • 4beta-Acetoxy-5alpha-androstane
    • [(4S,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclop
    • [(4S,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
    • Inchi: 1S/C21H34O2/c1-14(22)23-19-7-5-12-21(3)17-10-13-20(2)11-4-6-16(20)15(17)8-9-18(19)21/h15-19H,4-13H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1
    • InChI Key: ZKLQMYXUPGSIGN-NUNROCCHSA-N
    • SMILES: O(C(C)=O)[C@H]1CCC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12

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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