7-Dehydrobrefeldin A
[CAS# 62989-90-6]

Identification

• Name: 7-Dehydrobrefeldin A
• Synonyms: (1R,2R,3E,7S,11E,13S)-2-Hydroxy-7-Methyl-6-Oxabicyclo[11.3.0]Hexadeca-3,11-Diene-5,15-Quinone; 4H-Cyclopent(F)Oxacyclotridecin-4,13(1H)-Dione, 6,7,8,9,11A,12,14,14A-Octahydro-1-Hydroxy-6-Methyl-, (1R-(1R*,2E,6S*,10E,11As*,14Ar*))-; 7-Dehydrobrefeldin A
• Molecular Formula: C₁₆H₂₂O₄
• Molecular Weight: 278.35
• CAS Registry Number: 62989-90-6
• SMILES: [C@H]12[C@@H](CC(=O)C1)\C=C\CCC[C@@H](OC(=O)/C=C/[C@H]2O)C
• InChI: 1S/C16H22O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-12,14-15,18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,14+,15+/m0/s1
• InChIKey: IKUWMGOXYQGWPC-TWAINWRDSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 494.404°C at 760 mmHg (Cal.)
• Flash point: 182.6°C (Cal.)