Milliamine H
[CAS# 91197-53-4]

Identification

• Name: Milliamine H
• Synonyms: Benzoic Acid, 2-((2-(Methylamino)Benzoyl)Amino)-, 9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-4,4A,7B-Trihydroxy-1,1,3,6,8-Pentamethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl Ester, (1Ar-(1Aalpha,1Bbeta,4Beta,4Abeta,7Aalpha,7Balpha,8Alpha,9B
• Molecular Formula: C₃₇H₄₂N₂O₉
• Molecular Weight: 658.75
• CAS Registry Number: 91197-53-4
• SMILES: [C@H]14[C@](OC(=O)C)(C1(C)C)[C@H](OC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3NC)[C@H]([C@@]5(O)[C@H]4C=C([C@@H](O)[C@@]6(O)[C@H]5C=C(C6=O)C)C)C
• InChI: 1S/C37H42N2O9/c1-18-16-24-28-34(5,6)37(28,48-21(4)40)31(20(3)35(24,45)27-17-19(2)30(42)36(27,46)29(18)41)47-33(44)23-13-9-11-15-26(23)39-32(43)22-12-8-10-14-25(22)38-7/h8-17,20,24,27-29,31,38,41,45-46H,1-7H3,(H,39,43)/t20-,24+,27+,28-,29-,31-,35-,36+,37-/
• InChIKey: HRUJEWFJYODYPE-YAJLYFIVSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 751.635°C at 760 mmHg (Cal.)
• Flash point: 408.374°C (Cal.)