| SpectraBase Compound ID | LQmgVBhGSc8 |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-21-40(66-33-17-30(56-7)41(22(2)61-33)68-45-38(52)37(51)36(50)31(18-49)65-45)29(55-6)16-34(60-21)67-42-23(3)62-46(39(53)43(42)57-8)63-26-13-14-47(4)25(15-26)10-11-27-28(47)12-9-24-19-58-48(5)35(24)32(20-59-48)64-44(27)54/h10,19,21-23,26-43,45-46,49-53H,9,11-18,20H2,1-8H3/t21-,22-,23-,26?,27?,28?,29-,30+,31+,32-,33+,34-,35-,36+,37-,38+,39-,40+,41-,42-,43-,45-,46+,47?,48+/m0/s1 |
| InChIKey | HNCDUXJABPSSAV-VVYCRHCJSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LPRSfHORvk |
|---|---|
| Name | CYNANVERSICOSIDE_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-21-40(66-33-17-30(56-7)41(22(2)61-33)68-45-38(52)37(51)36(50)31(18-49)65-45)29(55-6)16-34(60-21)67-42-23(3)62-46(39(53)43(42)57-8)63-26-13-14-47(4)25(15-26)10-11-27-28(47)12-9-24-19-58-48(5)35(24)32(20-59-48)64-44(27)54/h10,19,21-23,26-43,45-46,49-53H,9,11-18,20H2,1-8H3/t21-,22-,23-,26?,27?,28?,29-,30+,31+,32-,33+,34-,35-,36+,37-,38+,39-,40+,41-,42-,43-,45-,46+,47?,48+/m0/s1 |
| InChIKey | HNCDUXJABPSSAV-VVYCRHCJSA-N |
| Literature Reference Author | Q.SHENG-XIANG,Z.ZHUANG-XIN,Y.LIN,Z.JUN |
| Literature Reference Citation | PLANTA.MED.,57,454(1991) |
| Literature Reference DOI | 10.1055/s-2006-960149 |
| Molecular Weight | 971.104 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP172 |