17-Ethinylandrost-5-ene-3,17-diol
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17-Ethinylandrost-5-ene-3,17-diol
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CAS No:
5173-84-2
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Formula:
C21H30O2
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Chemical Name:
17-Ethinylandrost-5-ene-3,17-diol
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Synonyms:
SCHEMBL11192932;AKOS030498622;17alpha-Ethynyl-3,17beta-dihydroxyandrost-5-ene
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CAS No:
17-Ethinylandrost-5-ene-3,17-diol Use and Manufacturing
Available 3β-hydroxy-5, 16-pregnadiene-20-one 3-acetate, ie pregnancy dienolone acetate, is first condensed with hydroxylamine hydrochloride (oximation), and the molecules are rearranged to form 17-acetamido-3β -Hydroxyandrosta-5, 16-diene-3-acetate, then hydrolyze to remove the acetamido, then add with acetylene, hydrolyze to remove the 3-acetyl group to prepare the product.
Intermediate of pregnancy hormone and spironolactone.
Computed Properties
Molecular Weight:314.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:314.224580195
Monoisotopic Mass:314.224580195
Topological Polar Surface Area:40.5
Heavy Atom Count:23
Complexity:598
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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