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3b-Hydroxy-5a-pregnan-16-en-20-one
[CAS# 566-61-0]

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Identification
Name 3b-Hydroxy-5a-pregnan-16-en-20-one
Synonyms Zinc02120337; 16-Pregnolone; 3Beta-Hydroxy-5Alpha-Pregn-16-En-20-One
Molecular Structure CAS#: 566-61-0, 3b-Hydroxy-5a-pregnan-16-en-20-one
Molecular Formula C21H32O2
Molecular Weight 316.48
CAS Registry Number 566-61-0
SMILES [C@]13(C(=CC[C@H]1[C@@H]2CC[C@@H]4[C@@]([C@H]2CC3)(CC[C@H](O)C4)C)C(=O)C)C
InChI 1S/C21H32O2/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/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1
InChIKey SFXPZLCQRZASKK-CKBUFISISA-N
Properties
Density 1.078g/cm3 (Cal.)
Boiling point 443.741°C at 760 mmHg (Cal.)
Flash point 189.131°C (Cal.)
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