(14R)-6beta,14-Diacetoxy-2beta,3beta-Epoxygrayanotoxane-5,10,16-Triol
[CAS# 26116-88-1]

Identification

• Name: (14R)-6beta,14-Diacetoxy-2beta,3beta-Epoxygrayanotoxane-5,10,16-Triol
• Synonyms: Grayanotoxane-5,6,10,14,16-Pentol, 2,3-Epoxy-, 6,14-Diacetate, (2-Beta,3-Beta,6-Beta,14R)-; Rhodojaponin I; Rhodojaponin Iii 9,11-Diacetate
• Molecular Formula: C₂₄H₃₆O₈
• Molecular Weight: 452.54
• CAS Registry Number: 26116-88-1
• SMILES: [C@H]13[C@@](O)(C([C@H]2O[C@@H]12)(C)C)[C@H](OC(=O)C)CC45[C@H]([C@]3(O)C)CC[C@@H](C4OC(=O)C)[C@](O)(C5)C
• InChI: 1S/C24H36O8/c1-11(25)30-15-9-23-10-21(5,27)13(18(23)31-12(2)26)7-8-14(23)22(6,28)17-16-19(32-16)20(3,4)24(15,17)29/h13-19,27-29H,7-10H2,1-6H3/t13-,14-,15+,16-,17-,18?,19-,21+,22+,23?,24+/m0/s1
• InChIKey: BQXZYRJBFJGDSL-IDMDAGKXSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 567.017°C at 760 mmHg (Cal.)
• Flash point: 187.541°C (Cal.)