Formula |
C28H30O11 |
IUPAC Name |
methyl (11beta,12alpha,13beta,15beta)-15-(benzoyloxy)-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
Molecular Mass |
542.531 g·mol−1 |
Heat of Formation |
-1771.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.62 ± 1.08 D |
Volume |
581.03 Å 3 |
Surface Area |
440.58 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
-0.80 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- picras-3-en-21-oic acid, 15-(benzoyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
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InChIKey |
TUKVWIYSWDDKKX-QQHLYMAWSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
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