| SpectraBase Compound ID | 1NcwCH2H9Tb |
|---|---|
| InChI | InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h5,18-19,21-42,46-56H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | IDPNGCDHYJDDRN-BYGOZSBKSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C45H72O19 |
| Exact Mass | 916.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8igE87Ld628 |
|---|---|
| Name | PRATIOSIDE-E1;ISOCHIAPAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O19 |
| InChI | InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h5,18-19,21-42,46-56H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | IDPNGCDHYJDDRN-BYGOZSBKSA-N |
| Literature Reference Author | X.C.LI,C.R.YANG,H.MATSUURA,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,33,465(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85541-X |
| Molecular Weight | 917.055 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6438 |