Bolazine
[CAS# 4267-81-6]

Identification

• Name: Bolazine
• Synonyms: (3E,10S,13R)-3-[(E)-[(2R,5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-2,10,13-Trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Ylidene]Hydrazono]-2,10,13-Trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-15-Ol; Bolazinum; 17Beta-Hydroxy-2Alpha-Methyl-5Alpha-Androstan-3-One Azine
• Molecular Formula: C₄₀H₆₄N₂O₂
• Molecular Weight: 604.96
• CAS Registry Number: 4267-81-6
• SMILES: [C@H]17[C@@H]([C@@]6([C@@H](CC1)CC(=N/N=C\5C(C[C@@]4(C2C(C3[C@](CC2)(CCC3O)C)CCC4C5)C)C)\[C@@H](C6)C)C)CC[C@]8([C@H]7CC[C@@H]8O)C
• InChI: 1S/C40H64N2O2/c1-23-21-39(5)25(7-9-27-29-11-12-35(44)38(29,4)18-14-30(27)39)19-32(23)41-42-33-20-26-8-10-28-31(40(26,6)22-24(33)2)13-16-37(3)17-15-34(43)36(28)37/h23-31,34-36,43-44H,7-22H2,1-6H3/b41-32+,42-33+/t23-,24?,25+,26?,27+,28?,29+,30+,31?,34?,35+,36?,37-,38+,39+,40+/m1/s1
• InChIKey: ZGNIWNQKJOBSHC-NTFOUPGFSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 678.798°C at 760 mmHg (Cal.)
• Flash point: 470.28°C (Cal.)