(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-3,8,8,17,19,23,23-Heptamethyl-9-(β-D-Xylopyranosyloxy)-24,25-Dioxaheptacyclo[19.3.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]Pentacos-22-Yl Acetate

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Formula C37H46O10
IUPAC Name (1s,2r,3s,4r,7r,9s,12r,14s,17r,18r,19r,21r,22s)-2-hydroxy-3,8,8,17,19,23,23-heptamethyl-9-(beta-d-xylopyranosyloxy)-24,25-dioxaheptacyclo[19.3.1.0 1,18 .0 3,17 .0 4,14 .0 7,12 .0 12,14 ]pentacos-22-yl acetate
Molecular Mass 650.755 g·mol−1
Heat of Formation -2025.3 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 803.51 Å 3
Surface Area 575.23 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
InChIKey TWFVBWUFOFPXEY-GEOUWNACSA-N
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