Acetylfukinotoxin
[CAS# 60409-51-0]

Identification

• Name: Acetylfukinotoxin
• Synonyms: [(1R,3'R,4R,6R,7R,11Z)-3',6,7,14-Tetramethyl-3,8,17-Trioxo-Spiro[2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-Ene-4,2'-Oxirane]-7-Yl] Acetate; Acetic Acid [(1R,3'R,4R,6R,7R,11Z)-3',6,7,14-Tetramethyl-3,8,17-Trioxo-7-Spiro[2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-Ene-4,2'-Oxirane]Yl] Ester; Acetic Acid [(1R,3'R,4R,6R,7R,11Z)-3,8,17-Triketo-3',6,7,14-Tetramethyl-Spiro[2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-Ene-4,2'-Oxirane]-7-Yl] Ester
• Molecular Formula: C₂₁H₂₉NO₈
• Molecular Weight: 423.46
• CAS Registry Number: 60409-51-0
• SMILES: [C@@]13(O[C@@H]1C)C(O[C@H]2C(=O)C(=C\CN(CC2)C)/COC(=O)[C@](OC(=O)C)([C@@H](C3)C)C)=O
• InChI: 1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21-/m1/s1
• InChIKey: RNNVXCSFOWGBQP-MWTIQZJTSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 626.282°C at 760 mmHg (Cal.)
• Flash point: 332.564°C (Cal.)