(3-beta,5-alpha,20S)-N,N,N',N',4,4,14-Heptamethyl-9,19-Cyclopregnane-3,20-Diamine
[CAS# 2278-38-8]

Identification

• Name: (3-beta,5-alpha,20S)-N,N,N',N',4,4,14-Heptamethyl-9,19-Cyclopregnane-3,20-Diamine
• Synonyms: Cycloprotobuxine A; Cycloprotobuxine-A
• Molecular Formula: C₂₈H₅₀N₂
• Molecular Weight: 414.72
• CAS Registry Number: 2278-38-8
• SMILES: [C@@]345C1([C@H](C2([C@](CC1)([C@H](CC2)[C@@H](N(C)C)C)C)C)CC[C@H]3C([C@@H](N(C)C)CC4)(C)C)C5
• InChI: 1S/C28H50N2/c1-19(29(6)7)20-12-14-26(5)22-11-10-21-24(2,3)23(30(8)9)13-15-27(21)18-28(22,27)17-16-25(20,26)4/h19-23H,10-18H2,1-9H3/t19-,20+,21-,22-,23-,25+,26?,27+,28?/m0/s1
• InChIKey: RJNWIZNQHVCLDL-ZHOLFIPRSA-N

Properties

• Density: 1.009g/cm³ (Cal.)
• Boiling point: 472.221°C at 760 mmHg (Cal.)
• Flash point: 206.249°C (Cal.)