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5beta-Pregnane-3alpha,20alpha-Diol
[CAS# 80-92-2]

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Identification
Name 5beta-Pregnane-3alpha,20alpha-Diol
Synonyms Pregnanediol; Nsc47462; D00189
Molecular Structure CAS#: 80-92-2, 5beta-Pregnane-3alpha,20alpha-Diol
Molecular Formula C21H36O2
Molecular Weight 320.51
CAS Registry Number 80-92-2
EINECS 201-313-7
SMILES [C@]24([C@H]([C@@H]1CC[C@H]3[C@@]([C@H]1CC2)(CC[C@@H](O)C3)C)CC[C@@H]4[C@@H](O)C)C
InChI 1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey YWYQTGBBEZQBGO-BERLURQNSA-N
Properties
Density 1.054g/cm3 (Cal.)
Boiling point 435.91°C at 760 mmHg (Cal.)
Flash point 191.009°C (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 5beta-Pregnane-3alpha,20alpha-Diol
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