![#13;ERYNGIOSIDE-J;21-BETA-ANGELOYLOXY-22-ALPHA-ACETYLOXY-O-3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCORONOPYRANOSYLOXY-OLE](/api/spectrum/L6DjjmiHqJV/structure.png?h=300&w=458 "#13;ERYNGIOSIDE-J;21-BETA-ANGELOYLOXY-22-ALPHA-ACETYLOXY-O-3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCORONOPYRANOSYLOXY-OLE")
| SpectraBase Compound ID | 4K5LwnTLtB2 |
|---|---|
| InChI | InChI=1S/C54H84O23/c1-11-22(2)45(69)77-42-43(71-23(3)57)54(21-56)25(18-49(42,4)5)24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(65)41(54)66)73-48-39(76-47-35(63)33(61)32(60)27(19-55)72-47)37(36(64)38(75-48)44(67)68)74-46-34(62)31(59)26(58)20-70-46/h11-12,25-43,46-48,55-56,58-66H,13-21H2,1-10H3,(H,67,68)/b22-11-/t25-,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36-,37-,38-,39+,40-,41+,42-,43-,46-,47-,48+,51-,52+,53-,54-/m0/s1 |
| InChIKey | OPRUBZSIDMHCMS-AVKPLEKBSA-N |
| Mol Weight | 1101.2 g/mol |
| Molecular Formula | C54H84O23 |
| Exact Mass | 1100.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6DjjmiHqJV |
|---|---|
| Name | #13;ERYNGIOSIDE-J;21-BETA-ANGELOYLOXY-22-ALPHA-ACETYLOXY-O-3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCORONOPYRANOSYLOXY-OLE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O23 |
| InChI | InChI=1S/C54H84O23/c1-11-22(2)45(69)77-42-43(71-23(3)57)54(21-56)25(18-49(42,4)5)24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(65)41(54)66)73-48-39(76-47-35(63)33(61)32(60)27(19-55)72-47)37(36(64)38(75-48)44(67)68)74-46-34(62)31(59)26(58)20-70-46/h11-12,25-43,46-48,55-56,58-66H,13-21H2,1-10H3,(H,67,68)/b22-11-/t25-,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36-,37-,38-,39+,40-,41+,42-,43-,46-,47-,48+,51-,52+,53-,54-/m0/s1 |
| InChIKey | OPRUBZSIDMHCMS-AVKPLEKBSA-N |
| Literature Reference Author | Z.ZHANG,S.LI,S.OWNBY,P.WANG,W.YUAN,W.ZHANG,R.S.BEASLEY |
| Literature Reference Citation | PHYTOCHEM.,69,2070(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.03.020 |
| Molecular Weight | 1101.247 g/mol |
| Sample ID | 63233 |
| Solvent | C5D5N |