(1R,6S)-3-O-Acetyl-1,4:2,6-Dianhydro-1-Ethyl-6-[(1E,3E,5E)-6-(4-Methoxy-5-Methyl-2-Oxo-2H-Pyran-6-Yl)-1,3,5-Hexatrien-1-Yl]-2,4-Dimethyl-L-Altritol

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Properties Simple | Detailed

Formula C25H26O8
IUPAC Name ethanolate; (5e)-2-ethynyl-3-methyl-7-methylene-5-[(2e,4e,6e)-6-(5-methylene-2-oxo-3,4-dihydropyran-3,4-diid-6-ylidene)hexa-2,4-dienylidene]-1,4-dioxepin-6-one; methanone
Molecular Mass 454.469 g·mol−1
Heat of Formation 2107.7 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 528.12 Å 3
Surface Area 459.28 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
InChIKey QXCOFYWOWZJFEA-LNPCFTJVSA-N
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