![SYMPLOCOSOSIDE_H;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL](/api/spectrum/21ws1BxmNTF/structure.png?h=300&w=458 "SYMPLOCOSOSIDE_H;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL")
| SpectraBase Compound ID | 9vrzVyXlFUm |
|---|---|
| InChI | InChI=1S/C64H100O24/c1-14-31(5)55(79)88-53-52(84-40(69)24-30(4)17-15-16-29(2)3)59(7,8)25-34-33-18-19-38-61(11)22-21-39(60(9,10)37(61)20-23-62(38,12)63(33,13)50(75)51(76)64(34,53)28-67)83-58-49(87-57-45(74)43(72)41(70)35(26-65)81-57)47(80-32(6)68)46(48(86-58)54(77)78)85-56-44(73)42(71)36(27-66)82-56/h16,18,24,31,34-39,41-53,56-58,65-67,70-76H,14-15,17,19-23,25-28H2,1-13H3,(H,77,78)/b30-24+ |
| InChIKey | IGZKUEHSCWAURC-BGABXYSRSA-N |
| Mol Weight | 1253.5 g/mol |
| Molecular Formula | C64H100O24 |
| Exact Mass | 1252.660454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21ws1BxmNTF |
|---|---|
| Name | SYMPLOCOSOSIDE_H;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O24 |
| InChI | InChI=1S/C64H100O24/c1-14-31(5)55(79)88-53-52(84-40(69)24-30(4)17-15-16-29(2)3)59(7,8)25-34-33-18-19-38-61(11)22-21-39(60(9,10)37(61)20-23-62(38,12)63(33,13)50(75)51(76)64(34,53)28-67)83-58-49(87-57-45(74)43(72)41(70)35(26-65)81-57)47(80-32(6)68)46(48(86-58)54(77)78)85-56-44(73)42(71)36(27-66)82-56/h16,18,24,31,34-39,41-53,56-58,65-67,70-76H,14-15,17,19-23,25-28H2,1-13H3,(H,77,78)/b30-24+ |
| InChIKey | IGZKUEHSCWAURC-BGABXYSRSA-N |
| Literature Reference Author | G.M.FU,Y.H.WANG,S.GAO,M.J.TANG,S.S.YU |
| Literature Reference Citation | PLANTA.MED.,71,666(2005) |
| Literature Reference DOI | 10.1055/s-2005-871274 |
| Molecular Weight | 1253.484 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ47019 |