12-Hydroxyandrosta-1,4-diene-3,17-dione

HCID 147291

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Basic information

CAS: 28840-96-2
Standard SMILES: C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC(O)[C@]2(C)C(=O)CC[C@@H]12
InChIKey: ZHWCPUFUYVTHSO-LADWCZHWSA-N
Molecular formula: C19H24O3
Average molar mass: 300.4 g/mol
Monoisotopic mass: 300.17254462

Overview

structure given in first source

Names & identifiers

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

Names & synonyms

12-Hydroxyandrosta-1,4-diene-3,17-dione12-OhddDTXSID5095147728840-96-2RefChem:78215DTXCID801379595SCHEMBL10884298(8R,9S,10R,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione12-hydroxy-1,4-androstadiene-3,17-dione

Database identifiers

CAS: 28840-96-2
PubChem CID: 147291
DTXSID: DTXSID50951477

Properties

Computed structural properties

XLogP: 2.1
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: 616

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