[(2As,4As,5S,7Bs)-5-(β-D-Glucopyranosyloxy)-1-Oxo-2A,4A,5,7B-Tetrahydro-1H-2,6-Dioxacyclopenta[Cd]Inden-4-Yl]Methyl Acetate
Properties
Property | Value |
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Formula | C18H22O11 |
IUPAC Name | [(4s,7s,8s,11s)-2-oxo-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate |
Molecular Mass | 414.361 g·mol−1 |
Heat of Formation | -1825.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.04 ± 1.08 D |
Volume | 448.37 Å 3 |
Surface Area | 357.07 Å 2 |
HOMO Energy | -10.07 ± 0.55 eV |
LUMO Energy | -0.25 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | IBIPGYWNOBGEMH-DILZHRMZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |