Browniine
[CAS# 5140-42-1]

Identification

• Name: Browniine
• Synonyms: 20-Ethyl-1Alpha,6Beta,16Beta-Trimethoxy-4-(Methoxymethyl)Aconitane-7,8,14Alpha-Triol; Aconitane-7,8,14-Triol, 20-Ethyl-4-(Methoxymethyl)-1,6,16-Trimethoxy-, (1-Alpha,6-Beta,14-Alpha,16-Beta)-; Chebi:3187
• Molecular Formula: C₂₅H₄₁NO₇
• Molecular Weight: 467.60
• CAS Registry Number: 5140-42-1
• SMILES: [C@]35([C@@]1([C@@H]2[C@@H](C[C@H]([C@H](C1)OC)[C@@H]2O)[C@@]46C3N(C[C@@]([C@H]4[C@@H]5OC)(CC[C@@H]6OC)COC)CC)O)O
• InChI: 1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,20+,21?,22+,23-,24+,25-/m1/s1
• InChIKey: MODXUQZMEBLSJD-YAEAOFIFSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 575.951°C at 760 mmHg (Cal.)
• Flash point: 302.125°C (Cal.)