| Formula |
C22H28O8 |
| IUPAC Name |
(1s,1's,2r,6s,6's,7's,9'r)-6-acetoxy-7'-hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0 1,6 ]dodecane]-2-carboxylic acid |
| Molecular Mass |
420.453 g·mol−1 |
| Heat of Formation |
-1442.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.85 ± 1.08 D |
| Volume |
469.94 Å 3 |
| Surface Area |
348.14 Å 2 |
| HOMO Energy |
-10.21 ± 0.55 eV |
| LUMO Energy |
-0.48 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- isodonoic acid
- spiro(cyclohexane-1,4'(3'h)-(1h-7,9a)methanocyclohepta(c)pyran)-2-carboxylic acid, 6-(acetyloxy)hexahydro-5'-hydroxy-3,3-dimethyl-8'-methylene-1',9'-dioxo-, (4's-(4'alpha(2s*,6r*), 4'abeta,5'beta,7'alpha,9'aalpha))-
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| CAS Number(s) |
|
| InChIKey |
YYLPICOTWQVMKZ-OWAWIEFQSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
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