| SpectraBase Spectrum ID |
B3pa3lAkdSr |
| Name |
Ethyl (3A.alpha.,4.beta.,5A.beta.,8.beta.,9.alpha.,9A.alpha.,9B.alpha.)-perhydro-4-(methoxymethoxy)-8,9A-dimethyl-2,6-dioxo-1H-benz[E]inden-9-acetate - 2-(ethylene acetal)-derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.246103492 u |
| Formula |
C23H36O7 |
| InChI |
InChI=1S/C23H36O7/c1-5-27-21(25)10-16-14(2)8-19(24)17-9-20(28-13-26-4)15-11-23(29-6-7-30-23)12-18(15)22(16,17)3/h14-18,20H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,20+,22-/m0/s1 |
| InChIKey |
NBORZGPMNJPOOB-KIAOQGOUSA-N |
| Molecular Weight |
424.534 g/mol |
| SMILES |
[C@@]12([C@](C(=O)C[C@@]([C@]2(CC(=O)OCC)[H])(C)[H])(C[C@@](OCOC)([C@@]2([C@]1(CC1(OCCO1)C2)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891637 |
![Ethyl (3a.alpha.,4.beta.,5a.beta.,8.beta.,9.alpha.,9a.alpha.,9b.alpha.)-perhydro-4-(methoxymethoxy)-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Ethylene acetal)-Derivative](/api/spectrum/B3pa3lAkdSr/structure.png?h=300&w=458 "Ethyl (3a.alpha.,4.beta.,5a.beta.,8.beta.,9.alpha.,9a.alpha.,9b.alpha.)-perhydro-4-(methoxymethoxy)-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Ethylene acetal)-Derivative")
