(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
Properties
Property | Value |
---|---|
Formula | C37H58O10 |
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 | 662.850 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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |