| Formula |
C21H24N2O3 |
| IUPAC Name |
methyl (5alpha,19e)-3-oxovobasan-17-oate |
| Molecular Mass |
352.427 g·mol−1 |
| Heat of Formation |
-230.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.09 ± 1.08 D |
| Volume |
425.62 Å 3 |
| Surface Area |
345.63 Å 2 |
| HOMO Energy |
-8.51 ± 0.55 eV |
| LUMO Energy |
-0.66 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-oxovobasan-17-oic acid, methyl ester
- methyl 3-oxovobasan-17-oate
|
| InChIKey |
TYPMTMPLTVSOBU-WGRGEXIDSA-N |
| QR Code |
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| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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