| SpectraBase Spectrum ID |
Du9m6Cu7FBP |
| Name |
(+)-1,2,4,4A.alpha.,5,6,6A,7,8,9,9A.alpha.,9B.beta.-dodecahydro-3.beta.-ethoxy-4-N-(tert-butoxycarbonyl)-7.beta.-(acetyloxy)-6A.beta.-methyl-(3H)-cyclopenta[F]quinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.267173290 u |
| Formula |
C22H37NO5 |
| InChI |
InChI=1S/C22H37NO5/c1-7-26-19-11-8-15-16-9-10-18(27-14(2)24)22(16,6)13-12-17(15)23(19)20(25)28-21(3,4)5/h15-19H,7-13H2,1-6H3/t15?,16?,17?,18-,19+,22-/m0/s1 |
| InChIKey |
RFFUVWIEJDJUMA-FTUFOODRSA-N |
| Molecular Weight |
395.540 g/mol |
| SMILES |
C(N1C2C(C3CC[C@@]([C@]3(CC2)C)(OC(=O)C)[H])CC[C@]1(OCC)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936241 |
![(+)-1,2,4,4a.alpha.,5,6,6a,7,8,9,9a.alpha.,9b.beta.-Dodecahydro-3.beta.-ethoxy-4-N-(tert-butoxycarbonyl)-7.beta.-(acetyloxy)-6a.beta.-methyl-(3H)-cyclopenta[f]quinoline](/api/spectrum/Du9m6Cu7FBP/structure.png?h=300&w=458 "(+)-1,2,4,4a.alpha.,5,6,6a,7,8,9,9a.alpha.,9b.beta.-Dodecahydro-3.beta.-ethoxy-4-N-(tert-butoxycarbonyl)-7.beta.-(acetyloxy)-6a.beta.-methyl-(3H)-cyclopenta[f]quinoline")
