(1S,9S,10S,11S,12S,13S,14R)-11,12,14-Trihydroxy-7,9-Dimethoxy-13-Methyl-12-{[(2R,3S)-3-Methyl-2-Oxiranyl]Carbonyl}-15-Oxatetracyclo[8.4.1.0~1,10~.0~3,8~]Pentadeca-3,5,7-Trien-2-One
Properties
Property | Value |
---|---|
Formula | C21H24O9 |
IUPAC Name | (1s,9s,10s,11s,12s,13s,14r)-11,12,14-trihydroxy-7,9-dimethoxy-13-methyl-12-{[(2r,3s)-3-methyl-2-oxiranyl]carbonyl}-15-oxatetracyclo[8.4.1.0 1,10 .0 3,8 ]pentadeca-3,5,7-trien-2-one |
Molecular Mass | 420.410 g·mol−1 |
Heat of Formation | -1171.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.26 ± 1.08 D |
Volume | 465.81 Å 3 |
Surface Area | 366.26 Å 2 |
HOMO Energy | -9.48 ± 0.55 eV |
LUMO Energy | -0.91 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | WWNXYRCJJRRWAQ-ALCXHWRFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |