| SpectraBase Spectrum ID |
Ee9VybMrHOp |
| Name |
[1,2,3,4,6,7,12,12Bbeta-octahydro-2beta-[(methoxycarbonyl)acetoxymethyl]indolo[2,3-A]quinolizin-3alpha-ylmethyl]malonic acid dimethylester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.195130545 u |
| Formula |
C26H30N2O9 |
| InChI |
InChI=1S/C26H30N2O9/c1-34-21(29)12-22(30)37-13-14-10-20-23-16(15-6-4-5-7-19(15)27-23)8-9-28(20)24(31)17(14)11-18(25(32)35-2)26(33)36-3/h4-7,14,17-18,20,27H,8-13H2,1-3H3/t14-,17-,20-/m1/s1 |
| InChIKey |
SPUVIHHMEIWUTC-WIBUTAKZSA-N |
| Molecular Weight |
514.531 g/mol |
| SMILES |
C1=CC=CC2=C1C1=C(N2)[C@@]2(N(CC1)C([C@@]([C@](C2)(COC(CC(OC)=O)=O)[H])(CC(C(OC)=O)C(OC)=O)[H])=O)[H] |
![[1,2,3,4,6,7,12,12Bbeta-octahydro-2beta-[(methoxycarbonyl)acetoxymethyl]indolo[2,3-A]quinolizin-3alpha-ylmethyl]malonic acid dimethylester](/api/spectrum/Ee9VybMrHOp/structure.png?h=300&w=458 "[1,2,3,4,6,7,12,12Bbeta-octahydro-2beta-[(methoxycarbonyl)acetoxymethyl]indolo[2,3-A]quinolizin-3alpha-ylmethyl]malonic acid dimethylester")
