| SpectraBase Compound ID | K0QsNgptSYc |
|---|---|
| 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/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,42+,43-,44+,45+/m0/s1 |
| InChIKey | TWCMWEWZAVFALI-XEPREZAVSA-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 | 7N0d1UUXL6q |
|---|---|
| Name | NEOHECOGENIN_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1B |
| 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/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,42+,43-,44+,45+/m0/s1 |
| InChIKey | TWCMWEWZAVFALI-XEPREZAVSA-N |
| Literature Reference Author | X.C.LI,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3893(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85354-I |
| Molecular Weight | 917.055 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19520 |