| SpectraBase Spectrum ID |
2bOtpl81OS |
| Name |
Methyl 3-(1'-oxobut-3'-yl)-7-methoxy-9-methyl-1-oxo-2,2a,3,4,5,8-hexahydro-1H-benz[cd]azulene-3-carboxylate |
| Alternate Name(s) |
Methyl 7-methoxy-9-methyl-3-(1-methyl-3-oxopropyl)-1-oxo-2,2a,3,4,5,8-hexahydro-1H-benzo[cd]azulene-3-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O5 |
| InChI |
InChI=1S/C21H26O5/c1-12-9-15(25-3)10-14-5-7-21(20(24)26-4,13(2)6-8-22)16-11-17(23)18(12)19(14)16/h8,10,13,16H,5-7,9,11H2,1-4H3 |
| InChIKey |
STDUAWLZSOLQDD-UHFFFAOYSA-N |
| Molecular Weight |
358.434 g/mol |
| SMILES |
C=12C=3C(=O)CC2C(C(=O)OC)(C(CC=O)C)CCC1C=C(OC)CC3C |
| SPLASH |
splash10-0pbl-7594000000-9cb2d73b25ee5f08f297 |
| Source of Spectrum |
B-52-1106-42 |
| Wiley ID |
746831 |
![METHYL-[3'R-(2A-ALPHA,3-ALPHA)-7-METHOXY-9-METHYL-1-OXO-3-(1'-OXOBUT-3'-YL)-2,2A,3,4,5,8-HEXAHYDRO-1H-BENZ-[CD]-AZULENE-3-CARBOXYLATE](/api/spectrum/2bOtpl81OS/structure.png?h=300&w=458 "METHYL-[3'R-(2A-ALPHA,3-ALPHA)-7-METHOXY-9-METHYL-1-OXO-3-(1'-OXOBUT-3'-YL)-2,2A,3,4,5,8-HEXAHYDRO-1H-BENZ-[CD]-AZULENE-3-CARBOXYLATE")
