| SpectraBase Compound ID | FgeZeR7wpXI |
|---|---|
| InChI | InChI=1S/C45H76O17/c1-19(2)7-10-27(48)20(3)31-28(59-43-39(56)40(34(51)30(18-47)61-43)62-41-37(54)35(52)32(49)21(4)57-41)16-26-24-9-8-22-15-23(11-13-44(22,5)25(24)12-14-45(26,31)6)58-42-38(55)36(53)33(50)29(17-46)60-42/h8,19-21,23-43,46-56H,7,9-18H2,1-6H3/t20-,21+,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 | SNGDDFVVJKDCRT-IFBGCFACSA-N |
| Mol Weight | 889.1 g/mol |
| Molecular Formula | C45H76O17 |
| Exact Mass | 888.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9nOQdf1G5s |
|---|---|
| Name | SCHBERTOSIDE-C |
| Compound Number | 122 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O17 |
| InChI | InChI=1S/C45H76O17/c1-19(2)7-10-27(48)20(3)31-28(59-43-39(56)40(34(51)30(18-47)61-43)62-41-37(54)35(52)32(49)21(4)57-41)16-26-24-9-8-22-15-23(11-13-44(22,5)25(24)12-14-45(26,31)6)58-42-38(55)36(53)33(50)29(17-46)60-42/h8,19-21,23-43,46-56H,7,9-18H2,1-6H3/t20-,21+,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 | SNGDDFVVJKDCRT-IFBGCFACSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 889.088 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22210 |