Formula |
C25H34O9 |
IUPAC Name |
(1beta,2alpha,6alpha,11alpha,12alpha)-1,2,11,12-tetrahydroxy-16-oxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate |
Molecular Mass |
478.532 g·mol−1 |
Heat of Formation |
-1661.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.84 ± 1.08 D |
Volume |
541.81 Å 3 |
Surface Area |
412.28 Å 2 |
HOMO Energy |
-9.75 ± 0.55 eV |
LUMO Energy |
2.78 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 6-asoc
- 6alpha-senecioyloxychaparrin
- picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta,12alpha)-
|
InChIKey |
GHYBVLUUZDLXRW-ASJGUVDWSA-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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