Cortolone
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Cortolone
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CAS No:
516-42-7
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Formula:
C21H34O5
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Chemical Name:
Cortolone
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Synonyms:
Pregnan-11-one,3,17,20,21-tetrahydroxy-,(3α,5β,20S)-;5β-Pregnan-11-one,3α,17,20α,21-tetrahydroxy-;(3α,5β,20S)-3,17,20,21-Tetrahydroxypregnan-11-one;Cortolone;5β-Pregnane-3α,17,20α,21-tetrol-11-one;α-Cortolone;3α,17α,20α,21-Tetrahydroxy-5β-pregnan-11-one;20α-Cortolone;Cortolon;5β-Pregnan-3α,17α,20α,21-tetrol-11-one;3α,17,20α,21-Tetrahydroxy-5β-pregnan-11-one;5β-Pregnane-3α,17α,20α,21-tetrol-11-one;NSC 59872;16170-72-2
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CAS No:
Characteristics
98
1.65330
Solid
1.248g/cm3
264 °C
564.1ºC at 760mmHg
309ºC
1.576
D25 +44° (c = 0.5 in ethanol); D28 +34.2° (ethanol)
Computed Properties
Molecular Weight:366.5
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:366.24062418
Monoisotopic Mass:366.24062418
Topological Polar Surface Area:98
Heavy Atom Count:26
Complexity:593
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes