| SpectraBase Compound ID | 7vbjjV6iRGU |
|---|---|
| InChI | InChI=1S/C45H76O21/c1-17(16-60-40-36(56)33(53)31(51)27(13-46)62-40)5-8-45(59)18(2)30-26(66-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)61-41-38(58)35(55)39(29(15-48)64-41)65-42-37(57)34(54)32(52)28(14-47)63-42/h17-42,46-59H,5-16H2,1-4H3/t17-,18-,19+,20-,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?/m0/s1 |
| InChIKey | UTRJXEOCVQXSFY-XFKUQMENSA-N |
| Mol Weight | 953.1 g/mol |
| Molecular Formula | C45H76O21 |
| Exact Mass | 952.487909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aj3WIR0ePc6 |
|---|---|
| Name | AMPELOSIDE-BF2 |
| Compound Number | 101 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O21 |
| InChI | InChI=1S/C45H76O21/c1-17(16-60-40-36(56)33(53)31(51)27(13-46)62-40)5-8-45(59)18(2)30-26(66-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)61-41-38(58)35(55)39(29(15-48)64-41)65-42-37(57)34(54)32(52)28(14-47)63-42/h17-42,46-59H,5-16H2,1-4H3/t17-,18-,19+,20-,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?/m0/s1 |
| InChIKey | UTRJXEOCVQXSFY-XFKUQMENSA-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 | 953.086 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22189 |