Methyl (14β,16Alpha,17Alpha)-14-(Benzoyloxy)-17-Hydroxyyohimban-16-Carboxylate
Properties
Property | Value |
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Formula | C28H30N2O5 |
IUPAC Name | methyl (1r,15r,18s,19r,20s,21r)-21-benzoyloxy-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
Molecular Mass | 474.548 g·mol−1 |
Heat of Formation | -650.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.79 ± 1.08 D |
Volume | 562.61 Å 3 |
Surface Area | 434.13 Å 2 |
HOMO Energy | -8.02 ± 0.55 eV |
LUMO Energy | 2.53 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | QBCDFIYIMPXGPX-TWSHGPBOSA-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 |