Cas no 19637-35-5 ((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one)

(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one structure
19637-35-5 structure
Product Name:(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CAS No:19637-35-5
MF:C24H36O3
MW:372.54084777832
CID:2920333
PubChem ID:15595092
Update Time:2025-04-21

(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one Chemical and Physical Properties

Names and Identifiers

    • 19637-35-5
    • (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-7-(oxan-2-yloxy)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
    • 3beta-(2-tetrahydropyranyloxy)androst-5-en-17-one
    • AKOS032429803
    • (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
    • Inchi: 1S/C24H36O3/c1-23-12-10-17(27-22-5-3-4-14-26-22)15-16(23)6-7-18-19-8-9-21(25)24(19,2)13-11-20(18)23/h6,17-20,22H,3-5,7-15H2,1-2H3/t17-,18-,19-,20-,22?,23-,24-/m0/s1
    • InChI Key: NIXXKMPUWREKQR-RULOFDISSA-N
    • SMILES: O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](CC3=CC[C@H]12)OC1CCCCO1

Computed Properties

  • Exact Mass: 372.26644501Da
  • Monoisotopic Mass: 372.26644501Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 2
  • Complexity: 640
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 35.5?2
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