(1S,3R,4R,6Z,8S,10R,11R)-13-[(4Z)-4-Hexenoyl]-3,10,12-Trihydroxy-6-[(2E,4E)-1-Hydroxy-2,4-Hexadien-1-Ylidene]-1,4,8,11-Tetramethyl-2,9-Dioxapentacyclo[8.4.0.0~3,8~.0~4,14~.0~7,11~]Tetradec-12-En-5-One

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Properties Simple | Detailed

Formula C28H34O8
IUPAC Name carbon dioxide; methanone; 2-[3-methylene-2-[(2s)-2-vinylcyclopropyl]cyclopropen-1-yl]ethynolate; (z)-oct-4-en-1,6-diyne; prop-1-yne
Molecular Mass 498.565 g·mol−1
Heat of Formation 2118.9 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 529.0 Å 3
Surface Area 419.37 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey VXNANBMCYPZBSM-TZABASOWSA-N
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