SpectraBase Compound ID | KHIVVjGUuVk |
---|---|
InChI | InChI=1S/C45H70O19/c1-24(2)10-6-15-28(16-8-13-25(3)11-7-12-26(4)14-9-17-29-18-33(49)58-22-29)21-59-44-41(38(54)35(51)31(20-47)61-44)64-45-42(39(55)36(52)32(62-45)23-57-27(5)48)63-43-40(56)37(53)34(50)30(19-46)60-43/h10-11,14,16,18,30-32,34-47,50-56H,6-9,12-13,15,17,19-23H2,1-5H3/b25-11+,26-14+,28-16-/t30-,31+,32-,34-,35+,36-,37+,38-,39+,40-,41+,42-,43+,44+,45+/m1/s1 |
InChIKey | LSQZKGHLXQDOOD-NTKDEHJBSA-N |
Mol Weight | 915.0 g/mol |
Molecular Formula | C45H70O19 |
Exact Mass | 914.45113 g/mol |
SpectraBase Spectrum ID | Fdy0eU0o4Ud |
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Name | 6''-O-ACETYL-BALIBALOSIDE |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H70O19 |
InChI | InChI=1S/C45H70O19/c1-24(2)10-6-15-28(16-8-13-25(3)11-7-12-26(4)14-9-17-29-18-33(49)58-22-29)21-59-44-41(38(54)35(51)31(20-47)61-44)64-45-42(39(55)36(52)32(62-45)23-57-27(5)48)63-43-40(56)37(53)34(50)30(19-46)60-43/h10-11,14,16,18,30-32,34-47,50-56H,6-9,12-13,15,17,19-23H2,1-5H3/b25-11+,26-14+,28-16-/t30-,31+,32-,34-,35+,36-,37+,38-,39+,40-,41+,42-,43+,44+,45+/m1/s1 |
InChIKey | LSQZKGHLXQDOOD-NTKDEHJBSA-N |
Literature Reference Author | C.AUDOIN,D.BONHOMME,J.IVANISEVIC,M.DELACRUZ,B.CAUTAIN,M.C.MO NTEIRO,F.REYES,L.RIO |
Literature Reference Citation | MAR.DRUGS,11,1477(2013) |
Literature Reference DOI | 10.3390/md11051477 |
Molecular Weight | 915.039 g/mol |
Source File Reference | UWLU74825 |