5α-Pregnane-3β,20α-diol
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5α-Pregnane-3β,20α-diol
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CAS No:
566-56-3
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Formula:
C21H36O2
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Chemical Name:
5α-Pregnane-3β,20α-diol
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Synonyms:
Pregnane-3,20-diol,(3β,5α,20S)-;5α-Pregnane-3β,20α-diol;(3β,5α,20S)-Pregnane-3,20-diol;Allopregnane-3β,20α-diol;3β,20α-Dihydroxy-5α-pregnane;Pregnanediol IV;5α-Pregnane-3β,20(S)-diol;UC 1019
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CAS No:
Characteristics
40.5
4.38700
1.137 g/cm3
218.5 °C
435.9ºC at 760 mmHg
191ºC
1.531
D22 +23° (c = 0.93 in chloroform)
Computed Properties
Molecular Weight:320.5
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:320.271530387
Monoisotopic Mass:320.271530387
Topological Polar Surface Area:40.5
Heavy Atom Count:23
Complexity:463
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes