![SYMPLOCOSOSIDE_I;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL](/api/spectrum/9gpUVCA0Cv9/structure.png?h=300&w=458 "SYMPLOCOSOSIDE_I;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL")
| SpectraBase Compound ID | 1BfoP5Eie2l |
|---|---|
| InChI | InChI=1S/C65H102O24/c1-15-32(5)55(78)89-54-53(85-41(70)25-31(4)18-16-17-30(2)3)60(7,8)26-35-34-19-20-39-62(11)23-22-40(61(9,10)38(62)21-24-63(39,12)64(34,13)51(76)52(77)65(35,54)29-68)84-59-50(88-58-46(75)44(73)42(71)36(27-66)82-58)48(81-33(6)69)47(49(87-59)56(79)80-14)86-57-45(74)43(72)37(28-67)83-57/h17,19,25,32,35-40,42-54,57-59,66-68,71-77H,15-16,18,20-24,26-29H2,1-14H3/b31-25+ |
| InChIKey | YCHGIXLNIKTVEP-QCKNELIISA-N |
| Mol Weight | 1267.5 g/mol |
| Molecular Formula | C65H102O24 |
| Exact Mass | 1266.676104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9gpUVCA0Cv9 |
|---|---|
| Name | SYMPLOCOSOSIDE_I;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H102O24 |
| InChI | InChI=1S/C65H102O24/c1-15-32(5)55(78)89-54-53(85-41(70)25-31(4)18-16-17-30(2)3)60(7,8)26-35-34-19-20-39-62(11)23-22-40(61(9,10)38(62)21-24-63(39,12)64(34,13)51(76)52(77)65(35,54)29-68)84-59-50(88-58-46(75)44(73)42(71)36(27-66)82-58)48(81-33(6)69)47(49(87-59)56(79)80-14)86-57-45(74)43(72)37(28-67)83-57/h17,19,25,32,35-40,42-54,57-59,66-68,71-77H,15-16,18,20-24,26-29H2,1-14H3/b31-25+ |
| InChIKey | YCHGIXLNIKTVEP-QCKNELIISA-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 | 1267.510 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ47020 |