Pseudoaconitine
[CAS# 127-29-7]

Identification

• Name: Pseudoaconitine
• Synonyms: Pseudoaconitine
• Molecular Formula: C₃₆H₅₁NO₁₂
• Molecular Weight: 689.80
• CAS Registry Number: 127-29-7
• SMILES: [C@@]123[C@H]7[C@@](COC)([C@@H](C[C@@H]1OC)O)CN(C2[C@@H]([C@@]4([C@@H]5[C@H]3C[C@@]([C@@H](OC)C4)(O)[C@@H]5OC(C6=CC=C(OC)C(=C6)OC)=O)OC(=O)C)[C@@H]7OC)CC
• InChI: 1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1
• InChIKey: YVPYMQHYESYLIR-CERQHTHQSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 741.574°C at 760 mmHg (Cal.)
• Flash point: 402.289°C (Cal.)