Formula |
C28H36O11 |
IUPAC Name |
methyl (11beta,12alpha,13beta,15beta)-15-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-2,11,12-trihydroxy-1,16-dioxo-13,20-epoxypicras-2-en-21-oate |
Molecular Mass |
548.579 g·mol−1 |
Heat of Formation |
-1877.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.08 ± 1.08 D |
Volume |
616.48 Å 3 |
Surface Area |
473.4 Å 2 |
HOMO Energy |
-9.65 ± 0.55 eV |
LUMO Energy |
-0.20 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- picras-2-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11beta,12alpha,15beta(e))-
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CAS Number(s) |
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InChIKey |
PCKQDAAUYVCTJJ-XYGKKIDYSA-N |
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Links |
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Elements |
H
C
O
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