(3beta,6beta,14R)-Grayanotoxane-2,3,5,6,10,14,16-heptol
[CAS# 37720-87-9]

Identification

• Name: (3beta,6beta,14R)-Grayanotoxane-2,3,5,6,10,14,16-heptol
• Synonyms: Grayanotoxane-2,3,5,6,10,14,16-Heptol, (3-Beta,6-Beta,14R)-; Rhodojaponin Vi
• Molecular Formula: C₂₀H₃₄O₇
• Molecular Weight: 386.48
• CAS Registry Number: 37720-87-9
• SMILES: CC4(C2(C(C(C1CCC3C(C1(CC2O)CC3(O)C)O)(O)C)C(O)C4O)O)C
• InChI: 1S/C20H34O7/c1-16(2)15(24)12(22)13-18(4,26)10-6-5-9-14(23)19(10,8-17(9,3)25)7-11(21)20(13,16)27/h9-15,21-27H,5-8H2,1-4H3
• InChIKey: OIRQCTPPDJLTNN-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 572.951°C at 760 mmHg (Cal.)
• Flash point: 259.833°C (Cal.)