SpectraBase Compound ID | EmdrzJi0cSI |
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InChI | InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1 |
InChIKey | VLSICJHWFMNVSZ-FDEJVROYSA-N |
Mol Weight | 901.1 g/mol |
Molecular Formula | C45H72O18 |
Exact Mass | 900.471865 g/mol |
SpectraBase Spectrum ID | 5mZt9fcTcE4 |
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Name | SOLADULCOSIDE-B |
Compound Number | 93 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H72O18 |
InChI | InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1 |
InChIKey | VLSICJHWFMNVSZ-FDEJVROYSA-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 | 901.056 g/mol |
Solvent | C5D5N |