| SpectraBase Compound ID | IBywwkIeohd |
|---|---|
| InChI | InChI=1S/C27H48O10/c1-11-27(4,14-12-13-17(2)3)37-26-24(33-10)22(31-8)21(30-7)19(36-26)16-35-25-23(32-9)20(29-6)18(28-5)15-34-25/h11,13,18-26H,1,12,14-16H2,2-10H3/t18-,19+,20-,21+,22-,23+,24+,25-,26-,27-/m0/s1 |
| InChIKey | HXQWAAMJLVRQMI-SGRVMCNRSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C27H48O10 |
| Exact Mass | 532.324748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yX426oGiWl |
|---|---|
| Name | (R)-Linalyl .beta.-vicianoside, 6me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 532.324747736 u |
| Formula | C27H48O10 |
| InChI | InChI=1S/C27H48O10/c1-11-27(4,14-12-13-17(2)3)37-26-24(33-10)22(31-8)21(30-7)19(36-26)16-35-25-23(32-9)20(29-6)18(28-5)15-34-25/h11,13,18-26H,1,12,14-16H2,2-10H3/t18-,19+,20-,21+,22-,23+,24+,25-,26-,27-/m0/s1 |
| InChIKey | HXQWAAMJLVRQMI-SGRVMCNRSA-N |
| Molecular Weight | 532.671 g/mol |
| SMILES | [C@@](CCC=C(C)C)(C=C)(C)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(CO[C@]1([C@](OC)([C@@](OC)([C@@](OC)(CO1)[H])[H])[H])[H])[H])[H])[H])[H])[H] |