| SpectraBase Compound ID | H8Aqeln5sTE |
|---|---|
| InChI | InChI=1S/C32H40O16/c1-9-22-10-12-23(13-11-22)47-32-30(46-21(8)38)28(44-19(6)36)26(42-17(4)34)24(48-32)14-39-31-29(45-20(7)37)27(43-18(5)35)25(15(2)40-31)41-16(3)33/h9-13,15,24-32H,1,14H2,2-8H3/t15-,24+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1 |
| InChIKey | CQWCVEHHGZUOCX-ISWNFHKTSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C32H40O16 |
| Exact Mass | 680.231635 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JaqsAXiaw52 |
|---|---|
| Name | .beta.-D-Glucopyranoside, 4-vinylphenyl 6-o-(6-deoxy-.alpha.-L-mannopyranosyl)-, 6ac derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 680.231635192 u |
| Formula | C32H40O16 |
| InChI | InChI=1S/C32H40O16/c1-9-22-10-12-23(13-11-22)47-32-30(46-21(8)38)28(44-19(6)36)26(42-17(4)34)24(48-32)14-39-31-29(45-20(7)37)27(43-18(5)35)25(15(2)40-31)41-16(3)33/h9-13,15,24-32H,1,14H2,2-8H3/t15-,24+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1 |
| InChIKey | CQWCVEHHGZUOCX-ISWNFHKTSA-N |
| SMILES | [C@@]1(OC2=CC=C(C=C2)C=C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(CO[C@]1([C@](OC(=O)C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@@](O1)(C)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959845 |