(3β,16β,17Alpha,18β,20Alpha)-16-(Hydroxymethyl)-11,17-Dimethoxyyohimban-18-Ol
Properties
Property | Value |
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Formula | C22H30N2O4 |
IUPAC Name | (1r,13r,15s,17r,18r,19r,20s)-19-(hydroxymethyl)-6,18-dimethoxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-17-ol |
Molecular Mass | 386.485 g·mol−1 |
Heat of Formation | -607.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.57 ± 1.08 D |
Volume | 463.04 Å 3 |
Surface Area | 376.72 Å 2 |
HOMO Energy | -8.18 ± 0.55 eV |
LUMO Energy | 0.00 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | YCLAQLTVHNAEEQ-UALTWCDSSA-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 |