5-Androstene-3,16,17-triol structure

5-Androstene-3,16,17-triol

(3S,8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol

Also Known As: 5-Androstenetriol|Androstenetriol|5-Androstene-3,16,17-triol|5-ANDROSTENE-3B,16A,17B-TRIOL|5-Androstene-3beta,16alpha,17beta-triol|5-androsten-3|A,16|A,17|A-triol|androst-5-ene-3beta,16alpha,17beta-triol|5-Androstene-3|A,16|A,17|A-triol|androst-5-ene-3|A,16|A,17|A-triol|5-androstene-3 beta,16 alpha,17 beta-triol|3|A,16|A,17|A-Trihydroxy-5-androstene|Androst-5-ene-3,16,17-triol, (3beta,16alpha,17beta)-|(1R,2R,3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2,7-triol|(3S,8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol

CAS: 4150-30-5
Molecular Formula C19H30O3
Molecular Weight 306.21948 g/mol
LogP 2.6418
Topological Polar Surface Area 60.69 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
Rotatable Bonds 0
Exact Mass 306.21948
Monoisotopic Mass 306.21948
Heavy Atoms 22
Complexity 500.90875

Chemical Identifiers

CAS Number 4150-30-5
SMILES C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)O)C)O

Product Overview

5-Androstene-3,16,17-triol (CAS 4150-30-5), with molecular formula C19H30O3 and molecular weight 306.21948 g/mol. IUPAC: (3S,8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol.

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