Grayanotoxin VII
[CAS# 30460-59-4]

Identification

• Name: Grayanotoxin VII
• Synonyms: Grayanotoxa-10(20),15-Diene-3,5,6,14-Tetrol, (3-Beta,6-Beta,14R)-; Grayanotoxin Vii; 7,9Aa-Methano-9Ah-Cyclopenta(B)Heptalene-2,11,11A-Beta,12(1H)-Tetrol, 2A,3,3Aa,4,4A-Beta,5,6,7-Beta,10,11A-Decahydro-1,1,8-Trimethyl-4-Methylene-
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 30460-59-4
• SMILES: [C@H]23C1(C(O)C(C(=C1)C)CC2)C[C@@H](O)[C@@]4(O)[C@H](C3=C)C[C@H](O)C4(C)C
• InChI: 1S/C20H30O4/c1-10-8-19-9-16(22)20(24)14(7-15(21)18(20,3)4)11(2)13(19)6-5-12(10)17(19)23/h8,12-17,21-24H,2,5-7,9H2,1,3-4H3/t12?,13-,14-,15-,16+,17?,19?,20-/m0/s1
• InChIKey: GIUXMMHBAIUPAN-SDGYDOHWSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 498.384°C at 760 mmHg (Cal.)
• Flash point: 227.436°C (Cal.)