![(-)-(2-R,3-S)-1-{4-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLOXY]-BENZYL}-2-O-BETA-D-GLUCOPYRANOSYL-4-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2](/api/spectrum/3c62bfmK0fG/structure.png?h=300&w=458 "(-)-(2-R,3-S)-1-{4-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLOXY]-BENZYL}-2-O-BETA-D-GLUCOPYRANOSYL-4-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2")
| SpectraBase Compound ID | K18UciNgrQx |
|---|---|
| InChI | InChI=1S/C46H66O28/c1-18(2)11-46(74-44-36(60)33(57)29(53)25(14-49)72-44,39(62)40(63)65-16-19-3-7-21(8-4-19)67-41-34(58)31(55)27(51)23(12-47)69-41)45(64)66-17-20-5-9-22(10-6-20)68-43-37(61)38(30(54)26(15-50)71-43)73-42-35(59)32(56)28(52)24(13-48)70-42/h3-10,18,23-39,41-44,47-62H,11-17H2,1-2H3/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33+,34-,35+,36-,37+,38-,39-,41-,42-,43+,44+,46+/m0/s1 |
| InChIKey | HLAUPYGCZKHKHA-BBXBOSKUSA-N |
| Mol Weight | 1067.0 g/mol |
| Molecular Formula | C46H66O28 |
| Exact Mass | 1066.374061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3c62bfmK0fG |
|---|---|
| Name | (-)-(2-R,3-S)-1-{4-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLOXY]-BENZYL}-2-O-BETA-D-GLUCOPYRANOSYL-4-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H66O28 |
| InChI | InChI=1S/C46H66O28/c1-18(2)11-46(74-44-36(60)33(57)29(53)25(14-49)72-44,39(62)40(63)65-16-19-3-7-21(8-4-19)67-41-34(58)31(55)27(51)23(12-47)69-41)45(64)66-17-20-5-9-22(10-6-20)68-43-37(61)38(30(54)26(15-50)71-43)73-42-35(59)32(56)28(52)24(13-48)70-42/h3-10,18,23-39,41-44,47-62H,11-17H2,1-2H3/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33+,34-,35+,36-,37+,38-,39-,41-,42-,43+,44+,46+/m0/s1 |
| InChIKey | HLAUPYGCZKHKHA-BBXBOSKUSA-N |
| Literature Reference Author | J.ZI,S.LI,M.LIU,M.GAN,S.LIN,W.SONG,Y.ZHANG,X.FAN,Y.YANG,J.ZH ANG,J.SHI,D.DI |
| Literature Reference Citation | J.NAT.PROD.,71,799(2008) |
| Literature Reference DOI | 10.1021/np070670j |
| Molecular Weight | 1067.013 g/mol |
| Sample ID | 28247 |
| Solvent | DMSO-D6:D2O |