(11a,17b)-11,17-Dihydroxy-17-methyl-3-oxo-Androsta-1,4-diene-2-carboxaldehyde
[CAS# 2454-11-7]

Identification

• Name: (11a,17b)-11,17-Dihydroxy-17-methyl-3-oxo-Androsta-1,4-diene-2-carboxaldehyde
• Synonyms: (8S,9S,10R,11R,13S,14S,17S)-11,17-Dihydroxy-10,13,17-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-2-Carboxaldehyde; (8S,9S,10R,11R,13S,14S,17S)-11,17-Dihydroxy-3-Keto-10,13,17-Trimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-2-Carbaldehyde; 11-Alpha,17-Beta-Dihydroxy-17-Methyl-3-Oxoandrosta-1,4-Diene-2-Carboxaldehyde
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 2454-11-7
• EINECS: 219-523-2
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C(=C1)C=O)CC2)C)[C@@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O
• InChI: 1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
• InChIKey: AMVODTGMYSRMNP-GNIMZFFESA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 543.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 296.6±26.6°C (Cal.)

Safety Data

• Controlled Substance: DEA Drug Code Number: 4000