Methyl (4α,9Beta,20S)-9,20-Dihydroxy-10,16-Didehydro-9,10-Dihydroibogamine-18-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C21H26N2O4 |
| IUPAC Name | methyl (4alpha,9beta,20s)-9,20-dihydroxy-10,16-didehydro-9,10-dihydroibogamine-18-carboxylate |
| Molecular Mass | 370.442 g·mol−1 |
| Heat of Formation | -515.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.51 ± 1.08 D |
| Volume | 431.25 Å 3 |
| Surface Area | 339.06 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | -0.69 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| CAS Number(s) |
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| InChIKey | BPKMKKDJAWRIOB-ZOHLKMAYSA-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 |