(1R,20'S)-20'-Dimethylamino-2-Methylspiro[1H-Isoindole-1,3'-[5alpha]Pregnan]-3(2H)-One
[CAS# 19587-41-8]

Identification

• Name: (1R,20'S)-20'-Dimethylamino-2-Methylspiro[1H-Isoindole-1,3'-[5alpha]Pregnan]-3(2H)-One
• Synonyms: (3R,10S,13S,17S)-17-[(1S)-1-Dimethylaminoethyl]-2',10,13-Trimethyl-Spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3,3'-Isoindoline]-1'-One; (3R,10S,13S,17S)-17-[(1S)-1-Dimethylaminoethyl]-2',10,13-Trimethyl-1'-Spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3,3'-Isoindoline]One; (3R,10S,13S,17S)-17-[(1S)-1-Dimethylaminoethyl]-2',10,13-Trimethyl-Spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3,3'-Isoindole]-1'-One
• Molecular Formula: C₃₁H₄₆N₂O
• Molecular Weight: 462.72
• CAS Registry Number: 19587-41-8
• SMILES: [C@]16(N(C(=O)C2=C1C=CC=C2)C)CC5CCC4C3CC[C@@H]([C@]3(CCC4[C@]5(CC6)C)C)[C@@H](N(C)C)C
• InChI: 1S/C31H46N2O/c1-20(32(4)5)24-13-14-25-22-12-11-21-19-31(27-10-8-7-9-23(27)28(34)33(31)6)18-17-29(21,2)26(22)15-16-30(24,25)3/h7-10,20-22,24-26H,11-19H2,1-6H3/t20-,21?,22?,24+,25?,26?,29-,30+,31+/m0/s1
• InChIKey: SLGWGPQWJRVPAD-BOCAEJFZSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 567.717°C at 760 mmHg (Cal.)
• Flash point: 211.058°C (Cal.)