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5-beta-Pregnan-3-alpha, 6-alpha-Diol-20-One
[CAS# 570-78-5]

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Identification
Name 5-beta-Pregnan-3-alpha, 6-alpha-Diol-20-One
Synonyms Nsc50920; Pregnan-20-One, 3,6-Dihydroxy-, (3.Alpha.,5.Beta.,6.Alpha.)-; Wln: L E5 B666tj A1 E1 Fv1 Lq Oq
Molecular Structure CAS#: 570-78-5, 5-beta-Pregnan-3-alpha, 6-alpha-Diol-20-One
Molecular Formula C21H34O3
Molecular Weight 334.50
CAS Registry Number 570-78-5
EINECS 209-333-8
SMILES [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](CC2)C(C)=O)C[C@@H]([C@@H]3C[C@@H](CC4)O)O
InChI 1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1
InChIKey HHUZGDMRRLQZIQ-PXWUZWBYSA-N
Properties
Density 1.117g/cm3 (Cal.)
Boiling point 469.694°C at 760 mmHg (Cal.)
Flash point 251.977°C (Cal.)
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