Pachysamine A
[CAS# 6801-29-2]

Identification

• Name: Pachysamine A
• Synonyms: [(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Methylamino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]-Dimethyl-Amine; 5-Alpha-Pregnane-3-Alpha,20-Alpha-Diamine, N(Sup 3),N(Sup 20),N(Sup 20)-Trimethyl-
• Molecular Formula: C₂₄H₄₄N₂
• Molecular Weight: 360.63
• CAS Registry Number: 6801-29-2
• SMILES: [C@H]1(CC[C@]3([C@H](C1)CC[C@H]4[C@@H]2CC[C@H]([C@H](C)N(C)C)[C@@]2(C)CC[C@H]34)C)NC
• InChI: 1S/C24H44N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h16-22,25H,7-15H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23-,24+/m0/s1
• InChIKey: NLOJUKSOUNWUSW-HLSPMNIASA-N

Properties

• Density: 0.985g/cm³ (Cal.)
• Boiling point: 433.345°C at 760 mmHg (Cal.)
• Flash point: 103.125°C (Cal.)