4-[(1E)-3-Hydroxy-1-Buten-1-Yl]-3,5,5-Trimethyl-3-Cyclohexen-1-Yl 6-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C25H42O12
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(1s)-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 534.594 g·mol−1
Heat of Formation 726.9 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 499.24 Å 3
Surface Area 417.95 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -3.00 ± eV
Point Group Symmetry C1
InChIKey JZJSTNWTRLNQSL-OSVLYSPJSA-N
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