(3beta,6beta,14R)-Grayanotoxane-3,5,6,14,16-Pentol
[CAS# 38776-77-1]

Identification

• Name: (3beta,6beta,14R)-Grayanotoxane-3,5,6,14,16-Pentol
• Synonyms: 10-Deoxygrayanotoxin Iii; 7,9A-Methano-9Ah-Cyclopenta(B)Heptalene-2,8,11,11A,12(1H)-Pentol, Dodecahydro-1,1,4,8-Tetramethyl-, (2S,3As,4R,4Ar,7R,8R,9As,11R,11Ar,12R)-
• Molecular Formula: C₂₀H₃₄O₅
• Molecular Weight: 354.49
• CAS Registry Number: 38776-77-1
• SMILES: [C@H]23C1([C@@H](O)C([C@](O)(C1)C)CC2)C[C@@H](O)[C@@]4(O)[C@H]([C@@H]3C)C[C@H](O)C4(C)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+/m1/s1
• InChIKey: IGKWESNBSFVVHE-VYIUWCHKSA-N

Properties

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