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5beta-Androstan-3beta-Ol-17-One
[CAS# 571-31-3]

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Identification
Name 5beta-Androstan-3beta-Ol-17-One
Synonyms Nsc62996; Epi-5.Beta.-Androsterone; 3.Beta.-Etiocholanolone
Molecular Structure CAS#: 571-31-3, 5beta-Androstan-3beta-Ol-17-One
Molecular Formula C19H30O2
Molecular Weight 290.44
CAS Registry Number 571-31-3
SMILES [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)C(CC2)=O)CC[C@@H]3C[C@H](CC4)O
InChI 1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1
InChIKey QGXBDMJGAMFCBF-XRJZGPCZSA-N
Properties
Density 1.085g/cm3 (Cal.)
Boiling point 413.139°C at 760 mmHg (Cal.)
Flash point 176.377°C (Cal.)
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