(5alpha)-Pregnane-3,11,20-Trione
[CAS# 2089-06-7]

Identification

• Classification: Analytical chemistry >> Standard >> Forensic and veterinary standards
• Name: (5alpha)-Pregnane-3,11,20-Trione
• Synonyms: (5S,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-3,11(2H,4H)-dione; (5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-3,11-dione; (5α)-pregnane-3,11,20-trione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.46
• CAS Registry Number: 2089-06-7
• SMILES: O=C3C[C@@]1([C@@H](C(=O)C)CC[C@H]1[C@@H]4CC[C@H]2CC(=O)CC[C@]2(C)[C@@H]34)C
• InChI: 1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3/t13-,15-,16+,17-,19+,20-,21+/m0/s1
• InChIKey: AHRWWYGWQKBKBF-MUGXHADPSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 466.499°C at 760 mmHg (Cal.)
• Flash point: 199.16°C (Cal.)
• Refractive index: 1.524 (Cal.)