| SpectraBase Spectrum ID |
Cw0h3zp3o4V |
| Name |
rel-(2S,4S,10R)-2-(p-Bromobenzoyloxy)-4-[3,4-(2-p-bromophenyl-2-oxo-ethyloxy)cinnamyloxy-4-methoxyphenyl]quinolizidine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
801.093678528 u |
| Formula |
C40H37Br2NO7 |
| InChI |
InChI=1S/C40H37Br2NO7/c1-47-37-19-12-29(35-24-34(23-32-4-2-3-21-43(32)35)49-40(46)28-10-15-31(42)16-11-28)22-38(37)50-39(45)20-7-26-5-17-33(18-6-26)48-25-36(44)27-8-13-30(41)14-9-27/h5-20,22,32,34-35H,2-4,21,23-25H2,1H3/b20-7+ |
| InChIKey |
AKYFSCLXCYMASY-IFRROFPPSA-N |
| Molecular Weight |
803.544 g/mol |
| SMILES |
C1=C(C=CC(=C1)Br)C(COC1=CC=C(C=C1)\C=C\C(OC1=C(C=CC(=C1)C1N2CCCCC2CC(C1)OC(=O)C1=CC=C(C=C1)Br)OC)=O)=O |
![Rel-(2S,4S,10R)-2-(p-bromobenzoyloxy)-4-[3,4-(2-p-bromophenyl-2-oxo-ethyloxy)cinnamyloxy-4-methoxyphenyl]quinolizidine](/api/spectrum/Cw0h3zp3o4V/structure.png?h=300&w=458 "Rel-(2S,4S,10R)-2-(p-bromobenzoyloxy)-4-[3,4-(2-p-bromophenyl-2-oxo-ethyloxy)cinnamyloxy-4-methoxyphenyl]quinolizidine")
