Asebotoxin III
[CAS# 28894-73-7]

Identification

• Name: Asebotoxin III
• Synonyms: Brn 5647634; Grayanotoxane-5,6,10,14,16-Pentol, 2,3-Epoxy-, 14-(2-Hydroxypropanoate), (2Beta,3Beta,6Beta,14R)-; Lactic Acid, 2,3-Epoxytetradecahydro-4,8,11,11A-Tetrahydroxy-1,1,4,8-Tetramethyl-7,9A-Methano-9Ah-Cyclopenta(B)Heptalen-12-Yl Ester, (2R,3S,3As,4R,4Ar,7R,8R,9As,11R,11Ar,12R)-
• Molecular Formula: C₂₃H₃₆O₈
• Molecular Weight: 440.53
• CAS Registry Number: 28894-73-7
• SMILES: CC1(C5(O)C(C2OC12)C(O)(C4C3(C(OC(=O)C(O)C)C(C(O)(C3)C)CC4)CC5O)C)C
• InChI: 1S/C23H36O8/c1-10(24)18(26)31-16-11-6-7-12-21(5,28)15-14-17(30-14)19(2,3)23(15,29)13(25)8-22(12,16)9-20(11,4)27/h10-17,24-25,27-29H,6-9H2,1-5H3
• InChIKey: PTPFNNBWQYPEKV-UHFFFAOYSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 602.308°C at 760 mmHg (Cal.)
• Flash point: 203.516°C (Cal.)