grayanotoxin IV
[CAS# 30272-17-4]

Identification

• Name: grayanotoxin IV
• Synonyms: Grayanotoxin Iv; Delta(Sup-10(18))-Acetylandromedenol; 7,9A-Methano-9Ah-Cyclopenta(B)Heptalene-2,8,11,11A,12(1H)-Pentol, Dodecahydro-1,1,8-Trimethyl-4-Methylene-, 12-Acetate, (2S,3As,4As,7R,4Ar,8R,9As,11R,12R)-(-)-
• Molecular Formula: C₂₂H₃₄O₆
• Molecular Weight: 394.51
• CAS Registry Number: 30272-17-4
• SMILES: [C@@H]3(OC(=O)C)C14[C@H](C([C@H]2[C@](O)([C@H](O)C1)C([C@@H](O)C2)(C)C)=C)CCC3[C@](O)(C4)C
• InChI: 1S/C22H34O6/c1-11-13-6-7-14-18(28-12(2)23)21(13,10-20(14,5)26)9-17(25)22(27)15(11)8-16(24)19(22,3)4/h13-18,24-27H,1,6-10H2,2-5H3/t13-,14?,15-,16-,17+,18-,20+,21?,22-/m0/s1
• InChIKey: RVBLUTOAMOFHON-DSALRGQMSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 521.316°C at 760 mmHg (Cal.)
• Flash point: 174.934°C (Cal.)