![(1S*,2S*,5R*,6S*,9R*)-Ethyl 5-acetoxymethyl-9-ethylamino-2-hydroxybicyclo[4.3.0]nonane-5-carboxylate](/api/spectrum/AuwpQKl0PxW/structure.png?h=300&w=458 "(1S*,2S*,5R*,6S*,9R*)-Ethyl 5-acetoxymethyl-9-ethylamino-2-hydroxybicyclo[4.3.0]nonane-5-carboxylate")
| SpectraBase Compound ID | LPWD19i7m0v |
|---|---|
| InChI | InChI=1S/C17H29NO5/c1-4-18-13-7-6-12-15(13)14(20)8-9-17(12,10-23-11(3)19)16(21)22-5-2/h12-15,18,20H,4-10H2,1-3H3/t12-,13+,14-,15-,17-/m0/s1 |
| InChIKey | DMWOTWFUXMIRQF-PFFSRIRZSA-N |
| Mol Weight | 327.42 g/mol |
| Molecular Formula | C17H29NO5 |
| Exact Mass | 327.204573 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AuwpQKl0PxW |
|---|---|
| Name | (1S*,2S*,5R*,6S*,9R*)-Ethyl 5-acetoxymethyl-9-ethylamino-2-hydroxybicyclo[4.3.0]nonane-5-carboxylate |
| Alternate Name(s) | Ethyl (1R,3aS,4R,7S,7aS)-4-[(acetyloxy)methyl]-1-(ethylamino)-7-hydroxyoctahydro-1H-indene-4-carboxylate (1R,3aS,4R,7S,7aS)-4-(acetyloxymethyl)-1-(ethylamino)-7-hydroxy-1,2,3,3a,5,6,7,7a-octahydroindene-4-carboxylic acid ethyl ester Ethyl (1R,3aS,4R,7S,7aS)-4-(acetyloxymethyl)-1-(ethylamino)-7-hydroxy-1,2,3,3a,5,6,7,7a-octahydroindene-4-carboxylate Ethyl (1R,3aS,4R,7S,7aS)-4-(acetoxymethyl)-1-(ethylamino)-7-hydroxy-1,2,3,3a,5,6,7,7a-octahydroindene-4-carboxylate Ethyl (1R,3aS,4R,7S,7aS)-4-(acetyloxymethyl)-1-(ethylamino)-7-oxidanyl-1,2,3,3a,5,6,7,7a-octahydroindene-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H29NO5 |
| InChI | InChI=1S/C17H29NO5/c1-4-18-13-7-6-12-15(13)14(20)8-9-17(12,10-23-11(3)19)16(21)22-5-2/h12-15,18,20H,4-10H2,1-3H3/t12-,13+,14-,15-,17-/m0/s1 |
| InChIKey | DMWOTWFUXMIRQF-PFFSRIRZSA-N |
| Molecular Weight | 327.421 g/mol |
| SMILES | N([C@]1([C@@]2([C@@]([C@@](CC[C@@]2(O)[H])(C(=O)OCC)COC(=O)C)(CC1)[H])[H])[H])CC |
| SPLASH | splash10-001i-9210000000-a23e24ba5fd91f77c973 |
| Source of Spectrum | KC-0-4052-27 |
| Wiley ID | 827085 |