![#2;SINOCRASSOSIDE-B5;QUERCETIN-3-O-BETA-D-GLUCOPYRANOSYL-7-O-BETA-D-(6-O-3-HYDROXY-ISOBUTYRYL)-GLUCOPYRANOSYL-(1->3)-ALPHA-L-[2-O-(2S)-2-METHYLBUTYRYL]-RHAMNOP](/api/spectrum/7pXrt5NbTWF/structure.png?h=300&w=458 "#2;SINOCRASSOSIDE-B5;QUERCETIN-3-O-BETA-D-GLUCOPYRANOSYL-7-O-BETA-D-(6-O-3-HYDROXY-ISOBUTYRYL)-GLUCOPYRANOSYL-(1->3)-ALPHA-L-[2-O-(2S)-2-METHYLBUTYRYL]-RHAMNOP")
| SpectraBase Compound ID | JAFQYLxkBfz |
|---|---|
| InChI | InChI=1S/C42H54O24/c1-5-14(2)39(57)64-37-35(65-41-33(55)31(53)28(50)24(63-41)13-58-38(56)15(3)11-43)26(48)16(4)59-42(37)60-18-9-21(47)25-22(10-18)61-34(17-6-7-19(45)20(46)8-17)36(29(25)51)66-40-32(54)30(52)27(49)23(12-44)62-40/h6-10,14-16,23-24,26-28,30-33,35,37,40-50,52-55H,5,11-13H2,1-4H3/t14-,15?,16+,23+,24-,26+,27+,28-,30-,31+,32+,33-,35-,37-,40-,41+,42+/m0/s1 |
| InChIKey | GZNYTDCXOMAFRS-MZUHFNNBSA-N |
| Mol Weight | 942.9 g/mol |
| Molecular Formula | C42H54O24 |
| Exact Mass | 942.300503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pXrt5NbTWF |
|---|---|
| Name | #2;SINOCRASSOSIDE-B5;QUERCETIN-3-O-BETA-D-GLUCOPYRANOSYL-7-O-BETA-D-(6-O-3-HYDROXY-ISOBUTYRYL)-GLUCOPYRANOSYL-(1->3)-ALPHA-L-[2-O-(2S)-2-METHYLBUTYRYL]-RHAMNOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O24 |
| InChI | InChI=1S/C42H54O24/c1-5-14(2)39(57)64-37-35(65-41-33(55)31(53)28(50)24(63-41)13-58-38(56)15(3)11-43)26(48)16(4)59-42(37)60-18-9-21(47)25-22(10-18)61-34(17-6-7-19(45)20(46)8-17)36(29(25)51)66-40-32(54)30(52)27(49)23(12-44)62-40/h6-10,14-16,23-24,26-28,30-33,35,37,40-50,52-55H,5,11-13H2,1-4H3/t14-,15?,16+,23+,24-,26+,27+,28-,30-,31+,32+,33-,35-,37-,40-,41+,42+/m0/s1 |
| InChIKey | GZNYTDCXOMAFRS-MZUHFNNBSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,T.WANG,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1438(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1438 |
| Molecular Weight | 942.876 g/mol |
| Sample ID | 2280 |
| Solvent | DMSO-D6 |