Methyl (16α,17α)-10,17-Dihydroxyyohimban-16-Carboxylate
Properties
Property | Value |
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Formula | C21H26N2O4 |
IUPAC Name | methyl (1s,13r,15r,18s,19r,20s)-7,18-dihydroxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-19-carboxylate |
Molecular Mass | 370.442 g·mol−1 |
Heat of Formation | -597.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.16 ± 1.08 D |
Volume | 436.49 Å 3 |
Surface Area | 372.81 Å 2 |
HOMO Energy | -8.02 ± 0.55 eV |
LUMO Energy | 0.02 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | XKJJSWXADRRQKQ-HRHDOCNUSA-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 |