(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one
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(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one
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CAS No:
516-16-5
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Formula:
C21H34O4
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Chemical Name:
(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one
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Synonyms:
Pregnan-20-one,3,11,21-trihydroxy-,(3β,5α,11β)-;5α-Pregnan-20-one,3β,11β,21-trihydroxy-;Allocorticosterone,tetrahydro-;(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one;Allopregnane-3β,11β,21-triol-20-one;3β,11β,21-Trihydroxy-5α-pregnan-20-one;Reichstein's substance R;3β-Allotetrahydrocorticosterone;3β,5α-Tetrahydrocorticosterone;Corticosterone,3-allotetrahydro-,(3β)-;5α-Pregnan-3β,11β,21-triol-20-one;3β,11β,21-Trihydroxy-5α-pregnane-20-one;Substance R
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CAS No:
(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one Basic Attributes
350.49
350.49
F590898GCA
DTXSID70199551
Characteristics
77.76000
2.53840
1.18g/cm3
194-200 °C
509.6ºC at 760 mmHg
276.1ºC
1.557
D +110° (ethanol)
Computed Properties
Molecular Weight:350.5
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:350.24570956
Monoisotopic Mass:350.24570956
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:548
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one
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