![#5C;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-PROPYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/D9VdKCdw6aH/structure.png?h=300&w=458 "#5C;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-PROPYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | 13la3CIrUCU |
|---|---|
| InChI | InChI=1S/C53H59NO13S/c55-43(54-29-16-30-60-52-46(58)45(57)47-42(64-52)35-63-51(67-47)39-23-12-4-13-24-39)27-28-44(56)66-50-49(62-33-38-21-10-3-11-22-38)48(61-32-37-19-8-2-9-20-37)41(34-59-31-36-17-6-1-7-18-36)65-53(50)68-40-25-14-5-15-26-40/h1-15,17-26,41-42,45-53,57-58H,16,27-35H2,(H,54,55)/t41-,42-,45-,46-,47-,48+,49+,50-,51-,52-,53+/m0/s1 |
| InChIKey | ICBFPKXKOHPQHR-HEGAWNDSSA-N |
| Mol Weight | 950.1 g/mol |
| Molecular Formula | C53H59NO13S |
| Exact Mass | 949.370712 g/mol |
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| SpectraBase Spectrum ID | D9VdKCdw6aH |
|---|---|
| Name | #5C;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-PROPYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H59NO13S |
| InChI | InChI=1S/C53H59NO13S/c55-43(54-29-16-30-60-52-46(58)45(57)47-42(64-52)35-63-51(67-47)39-23-12-4-13-24-39)27-28-44(56)66-50-49(62-33-38-21-10-3-11-22-38)48(61-32-37-19-8-2-9-20-37)41(34-59-31-36-17-6-1-7-18-36)65-53(50)68-40-25-14-5-15-26-40/h1-15,17-26,41-42,45-53,57-58H,16,27-35H2,(H,54,55)/t41-,42-,45-,46-,47-,48+,49+,50-,51-,52-,53+/m0/s1 |
| InChIKey | ICBFPKXKOHPQHR-HEGAWNDSSA-N |
| Literature Reference Author | P.CLAUDE,C.LEHMANN,T.ZIEGLER |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,7,1609(2011) |
| Literature Reference DOI | 10.3762/bjoc.7.189 |
| Molecular Weight | 950.110 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9871 |