![2-.beta.-Cyclohexyloxy-3-diethylamino-4-hydroxy-6-phenyl-1,5,7-trioxabicyclo[4.4.0]decane](/api/spectrum/LOvkvA5GFD0/structure.png?h=300&w=458 "2-.beta.-Cyclohexyloxy-3-diethylamino-4-hydroxy-6-phenyl-1,5,7-trioxabicyclo[4.4.0]decane")
| SpectraBase Compound ID | 802TFlUecMo |
|---|---|
| InChI | InChI=1S/C23H35NO5/c1-3-24(4-2)19-20(25)21-18(28-23(19)27-17-13-9-6-10-14-17)15-26-22(29-21)16-11-7-5-8-12-16/h5,7-8,11-12,17-23,25H,3-4,6,9-10,13-15H2,1-2H3/t18?,19?,20-,21-,22+,23+/m0/s1 |
| InChIKey | XNTLJHKLTBDQBU-YZYAFWJZSA-N |
| Mol Weight | 405.5 g/mol |
| Molecular Formula | C23H35NO5 |
| Exact Mass | 405.251523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOvkvA5GFD0 |
|---|---|
| Name | 2-.beta.-Cyclohexyloxy-3-diethylamino-4-hydroxy-6-phenyl-1,5,7-trioxabicyclo[4.4.0]decane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.251523226 u |
| Formula | C23H35NO5 |
| InChI | InChI=1S/C23H35NO5/c1-3-24(4-2)19-20(25)21-18(28-23(19)27-17-13-9-6-10-14-17)15-26-22(29-21)16-11-7-5-8-12-16/h5,7-8,11-12,17-23,25H,3-4,6,9-10,13-15H2,1-2H3/t18?,19?,20-,21-,22+,23+/m0/s1 |
| InChIKey | XNTLJHKLTBDQBU-YZYAFWJZSA-N |
| Molecular Weight | 405.535 g/mol |
| SMILES | [C@@]12([C@](C(N(CC)CC)[C@@](OC2CO[C@](O1)(C=1C=CC=CC1)[H])(OC1CCCCC1)[H])(O)[H])[H] |