(3beta,6beta,12beta,14R)Grayanotox-10(20)-Ene-3,5,6,12,14,16-Hexol
[CAS# 33880-98-7]

Identification

• Name: (3beta,6beta,12beta,14R)Grayanotox-10(20)-Ene-3,5,6,12,14,16-Hexol
• Synonyms: Grayanotox-10(20)-Ene-3,5,6,12,14,16-Hexol, (3-Beta,6-Beta,12-Beta,14R)-; Grayanotoxin Xi
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.47
• CAS Registry Number: 33880-98-7
• SMILES: CC2(C1(C(CC34C(C(C1CC2O)=C)CC(C(C3O)C(C4)(O)C)O)O)O)C
• InChI: 1S/C20H32O6/c1-9-10-5-12(21)15-16(24)19(10,8-18(15,4)25)7-14(23)20(26)11(9)6-13(22)17(20,2)3/h10-16,21-26H,1,5-8H2,2-4H3
• InChIKey: IHEDDHMJFFWQJA-UHFFFAOYSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 564.669°C at 760 mmHg (Cal.)
• Flash point: 258.046°C (Cal.)