(3-beta,6-beta,14R)-Grayanotoxane-3,5,6,10,14,16-Hexol 14-Pentanoate
[CAS# 84849-10-5]

Identification

• Name: (3-beta,6-beta,14R)-Grayanotoxane-3,5,6,10,14,16-Hexol 14-Pentanoate
• Synonyms: Brn 7179417; Grayanotoxane-3,5,6,10,14,16-Hexol, 14-Pentanoate, (3-Beta,6-Beta,14R)-
• Molecular Formula: C₂₅H₄₂O₇
• Molecular Weight: 454.60
• CAS Registry Number: 84849-10-5
• SMILES: [C@H]23C1(C(OC(=O)CCCC)[C@@H]([C@](O)(C1)C)CC2)C[C@@H](O)[C@@]4(O)[C@H]([C@@]3(O)C)C[C@H](O)C4(C)C
• InChI: 1S/C25H42O7/c1-6-7-8-19(28)32-20-14-9-10-15-23(5,30)16-11-17(26)21(2,3)25(16,31)18(27)12-24(15,20)13-22(14,4)29/h14-18,20,26-27,29-31H,6-13H2,1-5H3/t14-,15-,16-,17-,18+,20?,22+,23+,24?,25-/m0/s1
• InChIKey: VBPODEAYFUFNNY-LWLMEUCCSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 579.772°C at 760 mmHg (Cal.)
• Flash point: 188.023°C (Cal.)