(3S)-3-[(2R,4S,5S,6R,8S)-4,5-Dihydroxy-8-Methyl-1,7-Dioxaspiro[5.5]Undec-10-En-2-Yl]-7-Hydroxy-5-Methoxy-2-Benzofuran-1(3H)-One
Properties
Property | Value |
---|---|
Formula | C19H22O8 |
IUPAC Name | (3s)-3-[(2r,4s,5s,6r,8s)-4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-7-hydroxy-5-methoxy-3h-isobenzofuran-1-one |
Molecular Mass | 378.373 g·mol−1 |
Heat of Formation | -1313.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.24 ± 1.08 D |
Volume | 424.68 Å 3 |
Surface Area | 333.83 Å 2 |
HOMO Energy | -9.66 ± 0.55 eV |
LUMO Energy | -0.68 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | XOJJZYZCRNGOFV-YLZOTCFESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |