(3beta,6beta,14R)-Grayanotoxane-3,5,6,14,16-Pentol
[CAS# 38776-76-0]

Identification

• Name: (3beta,6beta,14R)-Grayanotoxane-3,5,6,14,16-Pentol
• Synonyms: Dihydrograyanotoxin Ii; Nsc 323779; Alpha-Dihydrograyanotoxin Ii
• Molecular Formula: C₂₀H₃₄O₅
• Molecular Weight: 354.49
• CAS Registry Number: 38776-76-0
• SMILES: [C@]234[C@H]([C@@H]([C@H]1[C@@](O)(C([C@@H](O)C1)(C)C)[C@H](O)C2)C)CC[C@@H]([C@H]3O)[C@](O)(C4)C
• InChI: 1S/C20H34O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h10-16,21-25H,5-9H2,1-4H3/t10-,11-,12-,13-,14-,15+,16+,18+,19-,20-/m0/s1
• InChIKey: IGKWESNBSFVVHE-NNTZHCKBSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 516.402°C at 760 mmHg (Cal.)
• Flash point: 233.495°C (Cal.)