![1,3,4,6-Tetra-O-acetyl-2-[(4-isopropenyl-cyclohex-1-enecarbonyl)-amino]-2-deoxy-b-d-glucopyranose](/api/spectrum/94neHIeiHiJ/structure.png?h=300&w=458 "1,3,4,6-Tetra-O-acetyl-2-[(4-isopropenyl-cyclohex-1-enecarbonyl)-amino]-2-deoxy-b-d-glucopyranose")
| SpectraBase Compound ID | 4m3gRQJer7P |
|---|---|
| InChI | InChI=1S/C24H33NO10/c1-12(2)17-7-9-18(10-8-17)23(30)25-20-22(33-15(5)28)21(32-14(4)27)19(11-31-13(3)26)35-24(20)34-16(6)29/h9,17,19-22,24H,1,7-8,10-11H2,2-6H3,(H,25,30)/t17?,19-,20-,21+,22+,24+/m0/s1 |
| InChIKey | KTRIVPIVHACXGQ-IHBSXIIESA-N |
| Mol Weight | 495.5 g/mol |
| Molecular Formula | C24H33NO10 |
| Exact Mass | 495.210446 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94neHIeiHiJ |
|---|---|
| Name | 1,3,4,6-Tetra-o-acetyl-2-[(4-isopropenyl-cyclohex-1-enecarbonyl)-amino]-2-deoxy-B-D-glucopyranose |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 495.210446257 u |
| Formula | C24H33NO10 |
| InChI | InChI=1S/C24H33NO10/c1-12(2)17-7-9-18(10-8-17)23(30)25-20-22(33-15(5)28)21(32-14(4)27)19(11-31-13(3)26)35-24(20)34-16(6)29/h9,17,19-22,24H,1,7-8,10-11H2,2-6H3,(H,25,30)/t17?,19-,20-,21+,22+,24+/m0/s1 |
| InChIKey | KTRIVPIVHACXGQ-IHBSXIIESA-N |
| Molecular Weight | 495.525 g/mol |
| SMILES | N([C@@]1([C@@](O[C@]([C@]([C@@]1(OC(=O)C)[H])(OC(C)=O)[H])(COC(=O)C)[H])(OC(C)=O)[H])[H])C(=O)C=1CCC(CC1)C(=C)C |