| SpectraBase Compound ID | wJRYp3ehdV |
|---|---|
| InChI | InChI=1S/C41H65N3O24/c1-41(2,3)68-40(59)43-12-18-23(48)27(52)29(54)34(62-18)35(57)44-22-26(51)32(21(15-47)65-36(22)60-11-7-10-42-39(58)61-16-17-8-5-4-6-9-17)66-38-31(56)33(25(50)20(14-46)64-38)67-37-30(55)28(53)24(49)19(13-45)63-37/h4-6,8-9,18-34,36-38,45-56H,7,10-16H2,1-3H3,(H,42,58)(H,43,59)(H,44,57)/t18-,19-,20-,21-,22-,23-,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34-,36-,37-,38+/m1/s1 |
| InChIKey | XZGOQRAFWHFDGI-HTEOEPKQSA-N |
| Mol Weight | 984.0 g/mol |
| Molecular Formula | C41H65N3O24 |
| Exact Mass | 983.3958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7b5Yjrt4Y9 |
|---|---|
| Name | #9J;3-BENZOXYCARBONYLAMINOPROPYL-ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEXOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H65N3O24 |
| InChI | InChI=1S/C41H65N3O24/c1-41(2,3)68-40(59)43-12-18-23(48)27(52)29(54)34(62-18)35(57)44-22-26(51)32(21(15-47)65-36(22)60-11-7-10-42-39(58)61-16-17-8-5-4-6-9-17)66-38-31(56)33(25(50)20(14-46)64-38)67-37-30(55)28(53)24(49)19(13-45)63-37/h4-6,8-9,18-34,36-38,45-56H,7,10-16H2,1-3H3,(H,42,58)(H,43,59)(H,44,57)/t18-,19-,20-,21-,22-,23-,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34-,36-,37-,38+/m1/s1 |
| InChIKey | XZGOQRAFWHFDGI-HTEOEPKQSA-N |
| Literature Reference Author | O.SCHWARDT,G.BAISCH,R.OEHRLEIN |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,1857(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00086-4 |
| Molecular Weight | 983.973 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS22021 |