6-O-Acetylgrayanotoxin II
[CAS# 59236-87-2]

Identification

• Name: 6-O-Acetylgrayanotoxin II
• Synonyms: Grayanotox-10(20)-Ene-3,5,6,14,16-Pentol, 6-Acetate, (3-Beta,6-Beta,14R)-
• Molecular Formula: C₂₂H₃₄O₆
• Molecular Weight: 394.51
• CAS Registry Number: 59236-87-2
• SMILES: [C@H]23C1([C@@H](O)C([C@](O)(C1)C)CC2)C[C@@H](OC(=O)C)[C@@]4(O)[C@H](C3=C)C[C@H](O)C4(C)C
• InChI: 1S/C22H34O6/c1-11-13-6-7-14-18(25)21(13,10-20(14,5)26)9-17(28-12(2)23)22(27)15(11)8-16(24)19(22,3)4/h13-18,24-27H,1,6-10H2,2-5H3/t13-,14?,15-,16-,17+,18-,20+,21?,22-/m0/s1
• InChIKey: PDRANESJGMJDLG-DSALRGQMSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 538.112°C at 760 mmHg (Cal.)
• Flash point: 181.819°C (Cal.)