| SpectraBase Compound ID | Ie8qagnMhlo |
|---|---|
| InChI | InChI=1S/C55H70O13/c1-8-9-22-31-61-50-49(68-53(58)55(5,6)7)47(63-35-41-29-20-13-21-30-41)45(43(65-50)37-60-33-39-25-16-11-17-26-39)66-51-48(67-52(57)54(2,3)4)46(62-34-40-27-18-12-19-28-40)44(56)42(64-51)36-59-32-38-23-14-10-15-24-38/h8,10-21,23-30,42-51,56H,1,9,22,31-37H2,2-7H3/t42-,43-,44+,45-,46+,47+,48-,49-,50-,51+/m1/s1 |
| InChIKey | XBUSKNKJWIBOGS-AVTGBIMQSA-N |
| Mol Weight | 939.2 g/mol |
| Molecular Formula | C55H70O13 |
| Exact Mass | 938.481642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YrHT4bsYv7 |
|---|---|
| Name | N-PENTENYL-3,6-DI-O-BENZYL-2-O-PIVALOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-3,6-DI-O-BENZOYL-2-O-PIVALOYL-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H70O13 |
| InChI | InChI=1S/C55H70O13/c1-8-9-22-31-61-50-49(68-53(58)55(5,6)7)47(63-35-41-29-20-13-21-30-41)45(43(65-50)37-60-33-39-25-16-11-17-26-39)66-51-48(67-52(57)54(2,3)4)46(62-34-40-27-18-12-19-28-40)44(56)42(64-51)36-59-32-38-23-14-10-15-24-38/h8,10-21,23-30,42-51,56H,1,9,22,31-37H2,2-7H3/t42-,43-,44+,45-,46+,47+,48-,49-,50-,51+/m1/s1 |
| InChIKey | XBUSKNKJWIBOGS-AVTGBIMQSA-N |
| Literature Reference Author | F.BOSSE,L.A.MARCAURELLE,P.H.SEEBERGER |
| Literature Reference Citation | J.ORG.CHEM.,67,6659(2002) |
| Literature Reference DOI | 10.1021/jo025834+ |
| Molecular Weight | 939.153 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24981 |