| SpectraBase Compound ID | 2cjtrHQFk3j |
|---|---|
| InChI | InChI=1S/C78H71ClN6O20/c1-91-51-35-37-52(38-36-51)93-43-58-62(65(94-40-47-23-9-3-10-24-47)60(69(97-58)82-83-80)84-70(86)53-31-17-18-32-54(53)71(84)87)101-75-61(85-72(88)55-33-19-20-34-56(55)73(85)89)66(95-41-48-25-11-4-12-26-48)64(57(98-75)42-92-39-46-21-7-2-8-22-46)103-78(45-79)104-68-67(102-77(90)81-50-29-15-6-16-30-50)63-59(99-76(68)105-78)44-96-74(100-63)49-27-13-5-14-28-49/h2-38,57-69,74-76H,39-45H2,1H3,(H,81,90)/t57-,58-,59+,60-,61-,62-,63+,64-,65-,66-,67-,68+,69-,74+,75+,76-,78?/m1/s1 |
| InChIKey | BTLHBXIETQJVJE-KESSBIHQSA-N |
| Mol Weight | 1447.9 g/mol |
| Molecular Formula | C78H71ClN6O20 |
| Exact Mass | 1446.441166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9x4JBxJBvJN |
|---|---|
| Name | #13A;4,6-O-BENZYLIDENE-2-O-(CHLOROACETYL)-3-(PHENYLCARBAMOYL)-BETA-D-GLUCOPYRANOSYL-(1->4)-3,6-DI-O-BENZYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSYL-(1->4)-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H71ClN6O20 |
| InChI | InChI=1S/C78H71ClN6O20/c1-91-51-35-37-52(38-36-51)93-43-58-62(65(94-40-47-23-9-3-10-24-47)60(69(97-58)82-83-80)84-70(86)53-31-17-18-32-54(53)71(84)87)101-75-61(85-72(88)55-33-19-20-34-56(55)73(85)89)66(95-41-48-25-11-4-12-26-48)64(57(98-75)42-92-39-46-21-7-2-8-22-46)103-78(45-79)104-68-67(102-77(90)81-50-29-15-6-16-30-50)63-59(99-76(68)105-78)44-96-74(100-63)49-27-13-5-14-28-49/h2-38,57-69,74-76H,39-45H2,1H3,(H,81,90)/t57-,58-,59+,60-,61-,62-,63+,64-,65-,66-,67-,68+,69-,74+,75+,76-,78?/m1/s1 |
| InChIKey | BTLHBXIETQJVJE-KESSBIHQSA-N |
| Literature Reference Author | D.OTT,J.SEIFERT,I.PRAHL,M.NIEMIETZ,J.HOFFMAN,J.GUDER,M.MOENN ICH,C.UNVERZAGT |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,5054(2012) |
| Literature Reference DOI | 10.1002/ejoc.201200468 |
| Molecular Weight | 1447.903 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU84144 |