![ALLYL-[3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)]-2-O-BENZOYL-3-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE](/api/spectrum/36ue6leIDyo/structure.png?h=300&w=458 "ALLYL-[3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)]-2-O-BENZOYL-3-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE")
| SpectraBase Compound ID | 7lS07DKzxq9 |
|---|---|
| InChI | InChI=1S/C52H54Cl3NO12/c1-2-28-61-50-47(67-48(58)39-26-16-7-17-27-39)46(64-33-38-24-14-6-15-25-38)44(40(29-57)65-50)68-49-42(56-51(59)52(53,54)55)45(63-32-37-22-12-5-13-23-37)43(62-31-36-20-10-4-11-21-36)41(66-49)34-60-30-35-18-8-3-9-19-35/h2-27,40-47,49-50,57H,1,28-34H2,(H,56,59)/t40-,41-,42-,43+,44-,45-,46+,47+,49+,50+/m0/s1 |
| InChIKey | VZRPJDJFTAUEHZ-MCUPKCCHSA-N |
| Mol Weight | 991.4 g/mol |
| Molecular Formula | C52H54Cl3NO12 |
| Exact Mass | 989.271159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36ue6leIDyo |
|---|---|
| Name | ALLYL-[3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)]-2-O-BENZOYL-3-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H54Cl3NO12 |
| InChI | InChI=1S/C52H54Cl3NO12/c1-2-28-61-50-47(67-48(58)39-26-16-7-17-27-39)46(64-33-38-24-14-6-15-25-38)44(40(29-57)65-50)68-49-42(56-51(59)52(53,54)55)45(63-32-37-22-12-5-13-23-37)43(62-31-36-20-10-4-11-21-36)41(66-49)34-60-30-35-18-8-3-9-19-35/h2-27,40-47,49-50,57H,1,28-34H2,(H,56,59)/t40-,41-,42-,43+,44-,45-,46+,47+,49+,50+/m0/s1 |
| InChIKey | VZRPJDJFTAUEHZ-MCUPKCCHSA-N |
| Literature Reference Author | K.PEKARI,D.TAILLER,R.WEINGART,R.R.SCHMIDT |
| Literature Reference Citation | J.ORG.CHEM.,66,7432(2001) |
| Literature Reference DOI | 10.1021/jo015840q |
| Molecular Weight | 991.359 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU28551 |