2beta,3beta-Epoxy-6beta,7alpha-(Isopropylidenebisoxy)Grayanotoxane-5,10,16-Triol
[CAS# 28836-76-2]

Identification

• Name: 2beta,3beta-Epoxy-6beta,7alpha-(Isopropylidenebisoxy)Grayanotoxane-5,10,16-Triol
• Synonyms: Deacetyllyoniol A Acetonide; Grayanotoxane-5,6,7,10,16-Pentol, 2,3-Epoxy-, Cyclic 6,7-(1-Methylethylidene Acetal)
• Molecular Formula: C₂₃H₃₆O₆
• Molecular Weight: 408.53
• CAS Registry Number: 28836-76-2
• SMILES: [C@@]16(O)[C@H]([C@](O)([C@H]4C3([C@@H]2OC(O[C@@H]12)(C)C)C[C@@H]([C@](O)(C3)C)CC4)C)[C@@H]5O[C@@H]5C6(C)C
• InChI: 1S/C23H36O6/c1-18(2)15-13(27-15)14-21(6,25)12-8-7-11-9-22(12,10-20(11,5)24)16-17(23(14,18)26)29-19(3,4)28-16/h11-17,24-26H,7-10H2,1-6H3/t11-,12-,13-,14-,15-,16+,17+,20+,21+,22?,23-/m0/s1
• InChIKey: HPQFYQHUOHFCQY-UKCOSPBMSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 559.989°C at 760 mmHg (Cal.)
• Flash point: 292.471°C (Cal.)