Grayanotoxin III
[CAS# 4678-45-9]

Identification

• Name: Grayanotoxin III
• Synonyms: 7,9A-Methano-9Ah-Cyclopenta(B)Heptalene-2,4,8,11,11A,12(1H)-Hexol, Dodecahydro-1,1,4,8-Tetramethyl-, (2S,3As,4R,4Ar,7R,8R,9As,11R,11Ar,12R)-; Andromedol; Brn 2059374
• Molecular Formula: C₂₀H₃₄O₆
• Molecular Weight: 370.49
• CAS Registry Number: 4678-45-9
• SMILES: [C@@H]12[C@](O)(C([C@H](O)C1)(C)C)[C@@H](O)C[C@@]34[C@@H]([C@@]2(O)C)CC[C@@H]([C@@H]3O)[C@](O)(C4)C
• InChI: 1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17+,18-,19+,20+/m0/s1
• InChIKey: BWMFRQKICHXLSH-ROASOBKTSA-N