Formula |
C21H26N2O3 |
IUPAC Name |
methyl (1s,13r,15s,18s,19s,20s)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
Molecular Mass |
354.443 g·mol−1 |
Heat of Formation |
-427.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.22 ± 1.08 D |
Volume |
420.22 Å 3 |
Surface Area |
354.58 Å 2 |
HOMO Energy |
-8.27 ± 0.55 eV |
LUMO Energy |
0.04 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- .alpha.-yohimbine
- 131-03-3 (free base)
- 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic acid methyl ester
- 20alpha-yohimban-16beta-carboxylic acid, 17alpha-hydroxy-, methyl ester (8ci)
- 6211-32-1 (hcl)
- bpbio1_000434
- meso-yohimbine
- rauwolscine (6ci,7ci)
- sdccgmls-0066742.p001
- yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha,20alpha)-
- yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha,20alpha)- (9ci)
- yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (17alpha,20alpha)-
|
InChIKey |
BLGXFZZNTVWLAY-DIRVCLHFSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
Wikipedia
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|