Cas no 1600-76-6 ((3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate)

(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate structure
1600-76-6 structure
Product Name:(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
CAS No:1600-76-6
MF:C21H34O3
MW:334.49286699295
CID:117858
PubChem ID:12186890
Update Time:2025-04-18

(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate Chemical and Physical Properties

Names and Identifiers

    • (3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
    • 5alpha-Androstan-3alpha,17beta-diol 3-acetate
    • Androstane-3,17-diol,3-acetate, (3a,5a,17b)-
    • [(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • 1600-76-6
    • (1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
    • Inchi： 1S/C21H34O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
    • InChI Key： MENYRVLDWKVWLK-YRQPXTNQSA-N
    • SMILES： O[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](C[C@@H]3CC[C@H]12)OC(C)=O

Computed Properties

  • Exact Mass: 292.24036
  • Monoisotopic Mass: 334.25079494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 517
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 40.46

(3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate Related Literature

Related Categories

1600-76-6 ((3R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate) Related Products

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