Grayanotoxin VI
[CAS# 30460-36-7]

Identification

• Name: Grayanotoxin VI
• Synonyms: Grayanotox-15-Ene-3,5,6,10,14-Pentol, (3-Beta,6-Beta,14R)-; Grayanotoxin Vi
• Molecular Formula: C₂₀H₃₂O₅
• Molecular Weight: 352.47
• CAS Registry Number: 30460-36-7
• SMILES: [C@H]12[C@@](O)(C([C@@H](O)C1)(C)C)[C@H](O)CC34[C@H]([C@]2(O)C)CCC([C@@H]3O)C(=C4)C
• InChI: 1S/C20H32O5/c1-10-8-19-9-15(22)20(25)13(7-14(21)17(20,2)3)18(4,24)12(19)6-5-11(10)16(19)23/h8,11-16,21-25H,5-7,9H2,1-4H3/t11?,12-,13-,14-,15+,16-,18+,19?,20-/m0/s1
• InChIKey: QFHZVMRENQIMQT-PUVSMECCSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 523.917°C at 760 mmHg (Cal.)
• Flash point: 238.447°C (Cal.)