| SpectraBase Compound ID | JvkNxXGwGbt |
|---|---|
| InChI | InChI=1S/C31H40O16/c1-15-24(41-16(2)32)26(43-18(4)34)28(45-20(6)36)30(40-15)39-14-23-25(42-17(3)33)27(44-19(5)35)29(46-21(7)37)31(47-23)38-13-22-11-9-8-10-12-22/h8-12,15,23-31H,13-14H2,1-7H3/t15-,23+,24-,25+,26+,27-,28+,29+,30+,31+/m0/s1 |
| InChIKey | LNDSPMJNXUHXSW-SQKYSOLGSA-N |
| Mol Weight | 668.6 g/mol |
| Molecular Formula | C31H40O16 |
| Exact Mass | 668.231635 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8kguiKH4Jc2 |
|---|---|
| Name | .beta.-D-Glucopyranoside, phenylmethyl 6-o-(6-deoxy-.alpha.-L-mannopyranosyl)-, hexaacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 668.231635192 u |
| Formula | C31H40O16 |
| InChI | InChI=1S/C31H40O16/c1-15-24(41-16(2)32)26(43-18(4)34)28(45-20(6)36)30(40-15)39-14-23-25(42-17(3)33)27(44-19(5)35)29(46-21(7)37)31(47-23)38-13-22-11-9-8-10-12-22/h8-12,15,23-31H,13-14H2,1-7H3/t15-,23+,24-,25+,26+,27-,28+,29+,30+,31+/m0/s1 |
| InChIKey | LNDSPMJNXUHXSW-SQKYSOLGSA-N |
| SMILES | [C@@]1(OCC2=CC=CC=C2)([C@@]([C@]([C@@]([C@](O1)(CO[C@]1([C@@]([C@@]([C@@](OC(=O)C)([C@](C)(O1)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(OC(=O)C)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927074 |