Betulin Dinicotinate
Properties
| Property | Value |
|---|---|
| Formula | C42H56N2O4 |
| IUPAC Name | [(1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-(pyridine-3-carbonyloxy)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl pyridine-3-carboxylate |
| Molecular Mass | 652.905 g·mol−1 |
| Heat of Formation | -696.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 0.80 ± 1.08 D |
| Volume | 819.63 Å 3 |
| Surface Area | 607.69 Å 2 |
| HOMO Energy | -9.61 ± 0.55 eV |
| LUMO Energy | -0.96 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | CLJIKNOYNZXNRG-QDMGQGEMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |