Andromedotoxin
[CAS# 4720-09-6]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: Andromedotoxin
• Synonyms: Grayanotoxin I
• Molecular Formula: C₂₂H₃₆O₇
• Molecular Weight: 412.52
• CAS Registry Number: 4720-09-6
• SMILES: [C@]134[C@H]([C@@](O)([C@H]2[C@](O)([C@H](O)C1)C([C@@H](O)C2)(C)C)C)CC[C@H]([C@@H]3OC(=O)C)[C@](O)(C4)C
• InChI: 1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17+,19-,20-,21+,22+/m1/s1
• InChIKey: NXCYBYJXCJWMRY-XNELDADBSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 549.326°C at 760 mmHg (Cal.)
• Flash point: 184.259°C (Cal.)