| SpectraBase Compound ID | 87mCRwhWoWs |
|---|---|
| InChI | InChI=1S/C46H60N2O24S2/c1-23(49)47-37-33(65-27(5)53)19-45(43(59)61-11,71-41(37)39(69-31(9)57)35(67-29(7)55)21-63-25(3)51)73-17-15-13-14-16-18-74-46(44(60)62-12)20-34(66-28(6)54)38(48-24(2)50)42(72-46)40(70-32(10)58)36(68-30(8)56)22-64-26(4)52/h33-42H,17-22H2,1-12H3,(H,47,49)(H,48,50)/t33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,45-,46-/m0/s1 |
| InChIKey | RFUPPQJZVXRJNI-VDCGHMNBSA-N |
| Mol Weight | 1089.1 g/mol |
| Molecular Formula | C46H60N2O24S2 |
| Exact Mass | 1088.297743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UJUj676FYL |
|---|---|
| Name | 1,6-DI-S-(METHYL-5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLONATE)-HEX-2,4-DI-YNE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H60N2O24S2 |
| InChI | InChI=1S/C46H60N2O24S2/c1-23(49)47-37-33(65-27(5)53)19-45(43(59)61-11,71-41(37)39(69-31(9)57)35(67-29(7)55)21-63-25(3)51)73-17-15-13-14-16-18-74-46(44(60)62-12)20-34(66-28(6)54)38(48-24(2)50)42(72-46)40(70-32(10)58)36(68-30(8)56)22-64-26(4)52/h33-42H,17-22H2,1-12H3,(H,47,49)(H,48,50)/t33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,45-,46-/m0/s1 |
| InChIKey | RFUPPQJZVXRJNI-VDCGHMNBSA-N |
| Literature Reference Author | Z.GAN,R.ROY |
| Literature Reference Citation | CAN.J.CHEM.,80,908(2002) |
| Literature Reference DOI | 10.1139/v02-053 |
| Molecular Weight | 1089.101 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29938 |