| SpectraBase Compound ID | 60g63Il6tBe |
|---|---|
| InChI | InChI=1S/2C41H47NO9S/c2*1-27-36(46-24-29-15-7-3-8-16-29)38(47-25-30-17-9-4-10-18-30)39(48-26-31-19-11-5-12-20-31)40(49-27)51-37-34(42-28(2)44)41(50-33(23-43)35(37)45)52-32-21-13-6-14-22-32/h2*3-22,27,33-41,43,45H,23-26H2,1-2H3,(H,42,44)/t2*27-,33+,34+,35+,36+,37+,38+,39-,40-,41-/m00/s1 |
| InChIKey | IZUCOXPGJXHJGZ-GAJCHYEYSA-N |
| Mol Weight | 1459.8 g/mol |
| Molecular Formula | C82H94N2O18S2 |
| Exact Mass | 1458.594307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dMZ1tboPsV |
|---|---|
| Name | PHENYL-2,3,4-TRI-O-BENZYL-ALPHA-L-FUCOPYRANOSYL-(1->3)-2-ACETAMIDO-2-DEOXY-1-THIO-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H94N2O18S2 |
| InChI | InChI=1S/2C41H47NO9S/c2*1-27-36(46-24-29-15-7-3-8-16-29)38(47-25-30-17-9-4-10-18-30)39(48-26-31-19-11-5-12-20-31)40(49-27)51-37-34(42-28(2)44)41(50-33(23-43)35(37)45)52-32-21-13-6-14-22-32/h2*3-22,27,33-41,43,45H,23-26H2,1-2H3,(H,42,44)/t2*27-,33+,34+,35+,36+,37+,38+,39-,40-,41-/m00/s1 |
| InChIKey | IZUCOXPGJXHJGZ-GAJCHYEYSA-N |
| Literature Reference Author | J.WATTS,J.JIMENEZ-BARBERO,A.POVEDA,T.B.GRINDLEY |
| Literature Reference Citation | CAN.J.CHEM.,81,364(2003) |
| Literature Reference DOI | 10.1139/v03-062 |
| Molecular Weight | 1459.771 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29992 |