| SpectraBase Spectrum ID |
5GwcSqGfGCh |
| Name |
[2Beta-(chloromethyl)-1,2,3,4,6,7,12,12BBETA-octahydro-4-oxoindolo[2,3-A]quinolizin-3beta-ylmethyl]malonic acid di-tert-butylester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.239099994 u |
| Formula |
C28H37ClN2O5 |
| InChI |
InChI=1S/C28H37ClN2O5/c1-27(2,3)35-25(33)20(26(34)36-28(4,5)6)14-19-16(15-29)13-22-23-18(11-12-31(22)24(19)32)17-9-7-8-10-21(17)30-23/h7-10,16,19-20,22,30H,11-15H2,1-6H3/t16-,19+,22-/m1/s1 |
| InChIKey |
QWUOIDGUYGQION-GTCCEBARSA-N |
| Molecular Weight |
517.066 g/mol |
| SMILES |
C(OC(=O)C(C(OC(C)(C)C)=O)C[C@@]1(C(=O)N2[C@@]([H])(C3=C(CC2)C2=C(C=CC=C2)N3)C[C@@]1(CCl)[H])[H])(C)(C)C |
![[2beta-(Chloromethyl)-1,2,3,4,6,7,12,12bbeta-octahydro-4-oxoindolo[2,3-a]quinolizin-3beta-ylmethyl]malonic acid di-tert-butylester](/api/spectrum/5GwcSqGfGCh/structure.png?h=300&w=458 "[2beta-(Chloromethyl)-1,2,3,4,6,7,12,12bbeta-octahydro-4-oxoindolo[2,3-a]quinolizin-3beta-ylmethyl]malonic acid di-tert-butylester")
