6-Dehydrograyanotoxin II
[CAS# 28371-51-9]

Identification

• Name: 6-Dehydrograyanotoxin II
• Synonyms: 6-Dehydrograyanotoxin Ii; Brn 2674036; Grayanotoxan-6-One, 10,20-Didehydro-3,5,14,16-Tetrahydroxy-, (3-Beta,14R)-
• Molecular Formula: C₂₀H₃₀O₅
• Molecular Weight: 350.45
• CAS Registry Number: 28371-51-9
• SMILES: [C@H]23C1([C@@H](O)C([C@](O)(C1)C)CC2)CC(=O)[C@@]4(O)[C@H](C3=C)C[C@H](O)C4(C)C
• InChI: 1S/C20H30O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-14,16,21,23-25H,1,5-9H2,2-4H3/t11-,12?,13-,14-,16-,18+,19?,20-/m0/s1
• InChIKey: GTIDMADMEINXCZ-IOMJJTKHSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 544.97°C at 760 mmHg (Cal.)
• Flash point: 297.452°C (Cal.)