![ALLYL-3,6-DI-O-BENZOYL-4-O-[2-O-BENZOYL-4,6-DI-O-BENZYLIDENE-(3'-ALPHA)-BETA-D-GALACTOPYRANOSYL]-2-DEOXY-2-ACETAMIDO-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/JGgi8nhaep/structure.png?h=300&w=458 "ALLYL-3,6-DI-O-BENZOYL-4-O-[2-O-BENZOYL-4,6-DI-O-BENZYLIDENE-(3'-ALPHA)-BETA-D-GALACTOPYRANOSYL]-2-DEOXY-2-ACETAMIDO-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | DeuWjbMCJ7e |
|---|---|
| InChI | InChI=1S/C45H45NO14/c1-3-24-52-44-34(46-27(2)47)38(57-41(50)29-18-10-5-11-19-29)37(33(55-44)25-53-40(49)28-16-8-4-9-17-28)60-45-39(58-42(51)30-20-12-6-13-21-30)35(48)36-32(56-45)26-54-43(59-36)31-22-14-7-15-23-31/h3-23,32-39,43-45,48H,1,24-26H2,2H3,(H,46,47)/t32-,33-,34-,35-,36+,37-,38-,39-,43+,44-,45+/m1/s1 |
| InChIKey | GCIKIAAZWPYOHQ-DCAFRGCDSA-N |
| Mol Weight | 823.8 g/mol |
| Molecular Formula | C45H45NO14 |
| Exact Mass | 823.284005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGgi8nhaep |
|---|---|
| Name | ALLYL-3,6-DI-O-BENZOYL-4-O-[2-O-BENZOYL-4,6-DI-O-BENZYLIDENE-(3'-ALPHA)-BETA-D-GALACTOPYRANOSYL]-2-DEOXY-2-ACETAMIDO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H45NO14 |
| InChI | InChI=1S/C45H45NO14/c1-3-24-52-44-34(46-27(2)47)38(57-41(50)29-18-10-5-11-19-29)37(33(55-44)25-53-40(49)28-16-8-4-9-17-28)60-45-39(58-42(51)30-20-12-6-13-21-30)35(48)36-32(56-45)26-54-43(59-36)31-22-14-7-15-23-31/h3-23,32-39,43-45,48H,1,24-26H2,2H3,(H,46,47)/t32-,33-,34-,35-,36+,37-,38-,39-,43+,44-,45+/m1/s1 |
| InChIKey | GCIKIAAZWPYOHQ-DCAFRGCDSA-N |
| Literature Reference Author | C.LI,X.B.MENG,X.F.JIN,Z.J.LI,Q.LI |
| Literature Reference Citation | J.CHIN.PHARM.SCI.,17,209(2008) |
| Molecular Weight | 823.851 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR7257 |