| SpectraBase Compound ID | IsDKRyBcZZC |
|---|---|
| InChI | InChI=1S/C29H46O12/c1-10-11-17-12-13-18(38-28-26(36-8)24(34-6)22(32-4)20(40-28)15-30-2)19(14-17)39-29-27(37-9)25(35-7)23(33-5)21(41-29)16-31-3/h10,12-14,20-29H,1,11,15-16H2,2-9H3/t20-,21-,22+,23+,24+,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | ISGFZZCHTGHUGZ-OREUXFHWSA-N |
| Mol Weight | 586.7 g/mol |
| Molecular Formula | C29H46O12 |
| Exact Mass | 586.298927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B8R7PWnNUyd |
|---|---|
| Name | .beta.-D-Glucopyranoside, 4-(2-propen-1-yl)-1,2-phenylene bis-, 8me derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 586.298926909 u |
| Formula | C29H46O12 |
| InChI | InChI=1S/C29H46O12/c1-10-11-17-12-13-18(38-28-26(36-8)24(34-6)22(32-4)20(40-28)15-30-2)19(14-17)39-29-27(37-9)25(35-7)23(33-5)21(41-29)16-31-3/h10,12-14,20-29H,1,11,15-16H2,2-9H3/t20-,21-,22+,23+,24+,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | ISGFZZCHTGHUGZ-OREUXFHWSA-N |
| Molecular Weight | 586.675 g/mol |
| SMILES | C1(=C(C=C(C=C1)CC=C)O[C@]1([C@@]([C@]([C@]([C@](O1)(COC)[H])(OC)[H])(OC)[H])(OC)[H])[H])O[C@]1([C@@]([C@]([C@]([C@](O1)(COC)[H])(OC)[H])(OC)[H])(OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947689 |