![SYMPLOCOSOSIDE_J;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL](/api/spectrum/3IoTcexiyQc/structure.png?h=300&w=458 "SYMPLOCOSOSIDE_J;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL")
| SpectraBase Compound ID | JjgsizOgtqp |
|---|---|
| InChI | InChI=1S/C66H96O24/c1-31(2)16-15-17-32(3)26-42(71)86-54-55(90-57(81)34-18-13-12-14-19-34)66(30-69)36(27-61(54,5)6)35-20-21-40-63(9)24-23-41(62(7,8)39(63)22-25-64(40,10)65(35,11)52(77)53(66)78)85-60-51(89-59-47(76)45(74)43(72)37(28-67)83-59)49(82-33(4)70)48(50(88-60)56(79)80)87-58-46(75)44(73)38(29-68)84-58/h12-14,16,18-20,26,36-41,43-55,58-60,67-69,72-78H,15,17,21-25,27-30H2,1-11H3,(H,79,80)/b32-26+ |
| InChIKey | FCZPZIOLLOUAGS-HMZBKAONSA-N |
| Mol Weight | 1273.5 g/mol |
| Molecular Formula | C66H96O24 |
| Exact Mass | 1272.629154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3IoTcexiyQc |
|---|---|
| Name | SYMPLOCOSOSIDE_J;3-BETA-O-{[BETA-D-GLUCOPYRANOSYL-(1->2)-]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-(3-O-ACETYL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H96O24 |
| InChI | InChI=1S/C66H96O24/c1-31(2)16-15-17-32(3)26-42(71)86-54-55(90-57(81)34-18-13-12-14-19-34)66(30-69)36(27-61(54,5)6)35-20-21-40-63(9)24-23-41(62(7,8)39(63)22-25-64(40,10)65(35,11)52(77)53(66)78)85-60-51(89-59-47(76)45(74)43(72)37(28-67)83-59)49(82-33(4)70)48(50(88-60)56(79)80)87-58-46(75)44(73)38(29-68)84-58/h12-14,16,18-20,26,36-41,43-55,58-60,67-69,72-78H,15,17,21-25,27-30H2,1-11H3,(H,79,80)/b32-26+ |
| InChIKey | FCZPZIOLLOUAGS-HMZBKAONSA-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 | 1273.474 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ47021 |