![.beta.-D-Glucopyranose, 1-[2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylate], 4tms](/api/spectrum/CABW3M4ShCT/structure.png?h=300&w=458 ".beta.-D-Glucopyranose, 1-[2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylate], 4tms")
| SpectraBase Compound ID | BPrUOAOx40M |
|---|---|
| InChI | InChI=1S/C30H54O8Si4/c1-20(2)24-18-22-17-21(15-16-23(22)33-24)29(31)35-30-28(38-42(12,13)14)27(37-41(9,10)11)26(36-40(6,7)8)25(34-30)19-32-39(3,4)5/h15-17,24-28,30H,1,18-19H2,2-14H3/t24?,25-,26-,27+,28-,30+/m1/s1 |
| InChIKey | DKWORBFIJNDVRU-QPKNFDRBSA-N |
| Mol Weight | 655.1 g/mol |
| Molecular Formula | C30H54O8Si4 |
| Exact Mass | 654.289575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CABW3M4ShCT |
|---|---|
| Name | .beta.-D-Glucopyranose, 1-[2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylate], 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 654.289574831 u |
| Formula | C30H54O8Si4 |
| InChI | InChI=1S/C30H54O8Si4/c1-20(2)24-18-22-17-21(15-16-23(22)33-24)29(31)35-30-28(38-42(12,13)14)27(37-41(9,10)11)26(36-40(6,7)8)25(34-30)19-32-39(3,4)5/h15-17,24-28,30H,1,18-19H2,2-14H3/t24?,25-,26-,27+,28-,30+/m1/s1 |
| InChIKey | DKWORBFIJNDVRU-QPKNFDRBSA-N |
| Molecular Weight | 655.094 g/mol |
| SMILES | [C@]1([C@@]([C@]([C@@]([C@](O1)(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(OC(C=1C=C2C(OC(C2)C(=C)C)=CC1)=O)[H] |