Aconitane-8,13,14,15-tetrol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,6a,14a,15a,16b)- (9CI)

Product Name: Hypaconitine (CAS NO.6900-87-4)

Molecular Formula: C₃₃H₄₅NO₁₀ 
Molecular Weight: 615.7111g/mol
Mol File: 6900-87-4.mol
Boiling point: 671.3 °C at 760 mmHg
Flash Point: 359.8 °C
Density: 1.35 g/cm³ 
Surface Tension: 60.2 dyne/cm
Enthalpy of Vaporization: 103.61 kJ/mol
Vapour Pressure: 6.18E-19 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 2
H-Bond Acceptor: 11
Structure Descriptors of Hypaconitine (CAS NO.6900-87-4):
  Canonical SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC
  Isomeric SMILES: CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](CC[C@@]7([C@H]5[C@H]([C@H]2C6N(C7)C)OC)COC)OC
  InChI: InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1 
  InChIKey: FIDOCHXHMJHKRW-VHQVDBNASA-N
Product Categories: Miscellaneous Natural Products 

 Hypaconitine , its CAS NO. is 6900-87-4, the synonym is Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)- .