(20S)-20-Hydroxy-3beta-(Methylamino)Pregn-5-En-18-Oic Acid gamma-Lactone
[CAS# 510-31-6]

Identification

• Name: (20S)-20-Hydroxy-3beta-(Methylamino)Pregn-5-En-18-Oic Acid gamma-Lactone
• Synonyms: Paravallarine
• Molecular Formula: C₂₂H₃₃NO₂
• Molecular Weight: 343.51
• CAS Registry Number: 510-31-6
• SMILES: [C@@]345[C@H]([C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](NC)CC2)C)CC3)CC[C@@H]4[C@@H](OC5=O)C
• InChI: 1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3/t13-,15-,16+,17+,18-,19-,21-,22-/m0/s1
• InChIKey: RSFPISDAJMWREU-CDFICMNGSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 500.861°C at 760 mmHg (Cal.)
• Flash point: 256.712°C (Cal.)