21-Hydroxypregnenolone
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21-Hydroxypregnenolone
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CAS No:
1164-98-3
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Formula:
C21H32O3
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Chemical Name:
21-Hydroxypregnenolone
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Synonyms:
Pregn-5-en-20-one,3,21-dihydroxy-,(3β)-;Pregn-5-en-20-one,3β,21-dihydroxy-;(3β)-3,21-Dihydroxypregn-5-en-20-one;Pregn-5-ene-3β,21-diol-20-one;3β,21-Dihydroxy-5-pregnen-20-one;21-Hydroxypregnenolone;5-Pregnen-3β,21-diol-20-one;NSC 60793
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CAS No:
Characteristics
57.53000
3.48770
1.15±0.1 g/cm3(Predicted)
483.4±45.0 °C(Predicted)
260.2ºC
1.567
189.3 Ų [M+H]+
Computed Properties
Molecular Weight:332.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:332.23514488
Monoisotopic Mass:332.23514488
Topological Polar Surface Area:57.5
Heavy Atom Count:24
Complexity:567
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes