Cas no 53512-52-0 ((3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione)

(3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione structure
53512-52-0 structure
Product Name:(3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione
CAS No:53512-52-0
MF:C19H28O3
MW:304.423826217651
CID:2669825
Update Time:2023-08-06

(3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione Chemical and Physical Properties

Names and Identifiers

    • 3β-Hydroxy-5β-androstane-6,17-dione
    • (3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclo
    • (3S,5R,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione
    • Inchi: 1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-15,20H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,18+,19-/m0/s1
    • InChI Key: HMFQSUMWKTYRNZ-WLGYCZFTSA-N
    • SMILES: O=C1C[C@H]2[C@@H]3CCC([C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](C[C@H]21)O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 527
  • Topological Polar Surface Area: 54.4
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