14-Hydroxy-androsta-1,4-diene-3,17-dione

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Basic information

CAS: 18149-97-8
Standard SMILES: C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O
InChIKey: JPSFSZXAYMJGAK-BSWVEEBUSA-N
Molecular formula: C19H24O3
Average molar mass: 300.4 g/mol
Monoisotopic mass: 300.17254462

Overview

14-Hydroxyandrosta-1,4-diene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.

Names & identifiers

Preferred name: 14-Hydroxy-androsta-1,4-diene-3,17-dione
IUPAC: (8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione

Names & synonyms

14-Hydroxy-androsta-1,4-diene-3,17-dione18149-97-8UNII-1V7O27YRNC14-Hydroxyandrosta-1,4-diene-3,17-dione1V7O27YRNCNSC 48014NSC-48014(8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dioneSCHEMBL10606546CHEBI:79668DTXSID10171159NSC48014

Show more names

Q27148793ANDROSTA-1,4-DIENE-3,17-DIONE, 14-HYDROXY-

Database identifiers

CAS: 18149-97-8
PubChem CID: 240986
DTXSID: DTXSID10171159
ChEBI: CHEBI:79668
UNII: 1V7O27YRNC
Nikkaji: J2.793.139A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 631

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Compound notes

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