3,9,11-Trihydroxy-6-(2-Hydroxy-2-Propanyl)-10,12-Bis(3-Methyl-2-Buten-1-Yl)-6,7-Dihydro-8H-Chromeno[3,2-D][1]Benzoxepin-8-One

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Properties Simple | Detailed

Formula C30H34O7
IUPAC Name but-2-yne; 1-but-2-ynyl-2-[(1r)-1-ethynyl-2-methylene-1-vinyl-but-3-enoxy]-3-methylene-cyclopropene; ethylene; hydron; methanol; methanone; penta-2,3-dien-1-ol; trihydrate
Molecular Mass 506.587 g·mol−1
Heat of Formation 2665.4 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 546.02 Å 3
Surface Area 434.48 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
InChIKey RHDAYJFHJLSBED-HSZRJFAPSA-N
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Elements C O