| SpectraBase Compound ID | JAGLQelK38f |
|---|---|
| InChI | InChI=1S/C32H42O16/c1-16-25(42-17(2)33)27(44-19(4)35)29(46-21(6)37)32(41-16)40-15-24-26(43-18(3)34)28(45-20(5)36)30(47-22(7)38)31(48-24)39-14-13-23-11-9-8-10-12-23/h8-12,16,24-32H,13-15H2,1-7H3/t16-,24+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1 |
| InChIKey | KLWWBQDTSHMFCF-WVDNVYGJSA-N |
| Mol Weight | 682.7 g/mol |
| Molecular Formula | C32H42O16 |
| Exact Mass | 682.247285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cg8dbCbahvZ |
|---|---|
| Name | 2-Phenylethyl 6-o-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranoside, hexacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 682.247285256 u |
| Formula | C32H42O16 |
| InChI | InChI=1S/C32H42O16/c1-16-25(42-17(2)33)27(44-19(4)35)29(46-21(6)37)32(41-16)40-15-24-26(43-18(3)34)28(45-20(5)36)30(47-22(7)38)31(48-24)39-14-13-23-11-9-8-10-12-23/h8-12,16,24-32H,13-15H2,1-7H3/t16-,24+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1 |
| InChIKey | KLWWBQDTSHMFCF-WVDNVYGJSA-N |
| Molecular Weight | 682.672 g/mol |
| SMILES | [C@@]1(OCCC2=CC=CC=C2)([C@@]([C@]([C@@]([C@](O1)(CO[C@]1([C@@]([C@@]([C@]([C@@](O1)(C)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H] |