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Pregnanediol
[CAS# 26445-07-8]

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CAS#: 26445-07-8
Product: Pregnanediol
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Identification
Name Pregnanediol
Synonyms Pregnanediol (Van)
Molecular Structure CAS#: 26445-07-8, Pregnanediol
Molecular Formula C21H36O2
Molecular Weight 320.51
CAS Registry Number 26445-07-8
SMILES [C@@H]23CCC1CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4CC)C)C)(O)O
InChI 1S/C21H36O2/c1-4-14-6-8-17-16-7-5-15-13-21(22,23)12-11-20(15,3)18(16)9-10-19(14,17)2/h14-18,22-23H,4-13H2,1-3H3/t14-,15?,16-,17-,18-,19+,20-/m0/s1
InChIKey JBSVQUOGNMYMSF-CIQUAOMQSA-N
Properties
Density 1.054g/cm3 (Cal.)
Boiling point 431.865°C at 760 mmHg (Cal.)
Flash point 188.769°C (Cal.)
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