(3beta,6beta,11alpha,14R)Grayanotox-10(20)-Ene-3,5,6,11,14,16-Hexol
[CAS# 35928-08-6]

Identification

• Name: (3beta,6beta,11alpha,14R)Grayanotox-10(20)-Ene-3,5,6,11,14,16-Hexol
• Synonyms: Grayanotox-10(20)-Ene-3,5,6,11,14,16-Hexol, (3-Beta,6-Beta,11-Alpha,14R)-; Grayanotoxin Xii
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 35928-08-6
• SMILES: CC4(C1(O)C(C(C23C(CC1O)CC(O)(C(C2O)CC3O)C)=C)CC4O)C
• InChI: 1S/C20H32O6/c1-9-11-6-13(21)17(2,3)20(11,26)15(23)5-10-8-18(4,25)12-7-14(22)19(9,10)16(12)24/h10-16,21-26H,1,5-8H2,2-4H3
• InChIKey: BQVUIUJDCWAIIR-UHFFFAOYSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 568.183°C at 760 mmHg (Cal.)
• Flash point: 259.832°C (Cal.)