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Substance Name: Androstane-3beta,11beta-diol-17-one
RN: 514-17-0
UNII: B6I75KUE58
InChIKey: PIXFHVWJOVNKQK-CZQRWWPKSA-N

Molecular Weight

  • 306.443
 
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Names and Synonyms

Name of Substance

  • Androstane-3beta,11beta-diol-17-one

Synonyms

  • 11-Hydroxyepiandrosterone
  • 11beta-Hydroxyepiandrosterone
  • 3,11-Dihydroxyandrostan-17-one
  • UNII-B6I75KUE58

Registry Numbers

CAS Registry Number

  • 514-17-0

FDA UNII

  • B6I75KUE58

System Generated Number

  • 0000514170

Structure Descriptors

InChI

1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17+,18-,19-/m0/s1

InChIKey

PIXFHVWJOVNKQK-CZQRWWPKSA-N

Smiles

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 235 deg C   EXP
log P (octanol-water) 1.930 (none)   EST
Water Solubility 78.2 mg/L 23 EXP
Atmospheric OH Rate Constant 5.46E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.