| SpectraBase Compound ID | fWOWFhmgKR |
|---|---|
| InChI | InChI=1S/C45H72O19/c1-19-30-26(64-45(19)11-6-20(14-46)18-57-45)13-25-23-5-4-21-12-22(7-9-43(21,2)24(23)8-10-44(25,30)3)58-40-37(56)35(54)38(29(17-49)61-40)62-42-39(34(53)32(51)28(16-48)60-42)63-41-36(55)33(52)31(50)27(15-47)59-41/h4,19-20,22-42,46-56H,5-18H2,1-3H3/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | PCQSKTFXQRWHRQ-HRIUVDSFSA-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 | 4Lw1JCcTUqv |
|---|---|
| Name | ISONARTHOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O19 |
| InChI | InChI=1S/C45H72O19/c1-19-30-26(64-45(19)11-6-20(14-46)18-57-45)13-25-23-5-4-21-12-22(7-9-43(21,2)24(23)8-10-44(25,30)3)58-40-37(56)35(54)38(29(17-49)61-40)62-42-39(34(53)32(51)28(16-48)60-42)63-41-36(55)33(52)31(50)27(15-47)59-41/h4,19-20,22-42,46-56H,5-18H2,1-3H3/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | PCQSKTFXQRWHRQ-HRIUVDSFSA-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 | UWVN6436 |