![#7;DICYCLOHEXYLMETHYL-6-O-(6-O-ACETYL-2-O-BENZOYL-3,4-DI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-3-O-[(2-O-BENZOYL-3,4,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)]-2-O-BENZO](/api/spectrum/6GXKT6UACsR/structure.png?h=300&w=458 "#7;DICYCLOHEXYLMETHYL-6-O-(6-O-ACETYL-2-O-BENZOYL-3,4-DI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-3-O-[(2-O-BENZOYL-3,4,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)]-2-O-BENZO")
| SpectraBase Compound ID | ITWEYmKupei |
|---|---|
| InChI | InChI=1S/C89H98O19S/c1-60(90)96-59-73-76(98-54-63-36-16-4-17-37-63)78(99-55-64-38-18-5-19-39-64)80(105-84(92)68-46-26-9-27-47-68)87(102-73)101-58-71-74(91)77(82(107-86(94)70-50-30-11-31-51-70)89(104-71)109-83(66-42-22-7-23-43-66)67-44-24-8-25-45-67)108-88-81(106-85(93)69-48-28-10-29-49-69)79(100-56-65-40-20-6-21-41-65)75(97-53-62-34-14-3-15-35-62)72(103-88)57-95-52-61-32-12-2-13-33-61/h2-6,9-21,26-41,46-51,66-67,71-83,87-89,91H,7-8,22-25,42-45,52-59H2,1H3/t71-,72-,73+,74-,75-,76+,77+,78-,79+,80+,81-,82-,87+,88+,89+/m0/s1 |
| InChIKey | XQJNQHWJUAPNOO-FCZXZZGBSA-N |
| Mol Weight | 1503.8 g/mol |
| Molecular Formula | C89H98O19S |
| Exact Mass | 1502.642302 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GXKT6UACsR |
|---|---|
| Name | #7;DICYCLOHEXYLMETHYL-6-O-(6-O-ACETYL-2-O-BENZOYL-3,4-DI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-3-O-[(2-O-BENZOYL-3,4,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL)]-2-O-BENZO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C89H98O19S |
| InChI | InChI=1S/C89H98O19S/c1-60(90)96-59-73-76(98-54-63-36-16-4-17-37-63)78(99-55-64-38-18-5-19-39-64)80(105-84(92)68-46-26-9-27-47-68)87(102-73)101-58-71-74(91)77(82(107-86(94)70-50-30-11-31-51-70)89(104-71)109-83(66-42-22-7-23-43-66)67-44-24-8-25-45-67)108-88-81(106-85(93)69-48-28-10-29-49-69)79(100-56-65-40-20-6-21-41-65)75(97-53-62-34-14-3-15-35-62)72(103-88)57-95-52-61-32-12-2-13-33-61/h2-6,9-21,26-41,46-51,66-67,71-83,87-89,91H,7-8,22-25,42-45,52-59H2,1H3/t71-,72-,73+,74-,75-,76+,77+,78-,79+,80+,81-,82-,87+,88+,89+/m0/s1 |
| InChIKey | XQJNQHWJUAPNOO-FCZXZZGBSA-N |
| Literature Reference Author | R.GEURTSEN,F.COTE,M.G.HAHN,G.J.BOONS |
| Literature Reference Citation | J.ORG.CHEM.,64,7828(1999) |
| Literature Reference DOI | 10.1021/jo990836o |
| Molecular Weight | 1503.806 g/mol |
| Sample ID | 59960 |
| Solvent | CDCl3 |