(1As,3As,7S,7Ar,9S,10S,10As)-7-Acetoxy-4-[(1S,2R)-1,2-Diacetoxy-4-Methyl-3-Penten-1-Yl]-9-Hydroxy-1A-Methyl-8-Methylene-1A,2,3,3A,7,7A,8,9,10,10A-Decahydrooxireno[5,6]Cyclonona[1,2-C]Pyran-10-Yl Benzoate

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Properties Simple | Detailed

Formula C33H40O11
IUPAC Name [3-(4-buta-1,3-diynyl-5-but-2-ynoyl-2-oxo-tetrahydropyran-3-yl)-2-oxo-1-(oxomethylene)but-3-enoxy]methanolate; carbon dioxide; ethanol; formaldehyde; prop-1-yne
Molecular Mass 612.664 g·mol−1
Heat of Formation -1777.1 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 726.76 Å 3
Surface Area 514.09 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey WHFYKRNZGHQAED-AYKORBDZSA-N
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Elements H C O