| SpectraBase Compound ID | 20bMhY6bKTy |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-12-52(9,76-49-41(65)37(61)34(58)31(24-55)70-49)22-16-20-29(7)47(68)74-44-38(62)35(59)32(25-56)71-50(44)77-54(11,14-3)23-17-19-28(6)46(67)73-43-30(8)69-48(42(66)40(43)64)75-45-39(63)36(60)33(26-57)72-51(45)78-53(10,13-2)21-15-18-27(4)5/h12-14,18-20,30-45,48-51,55-66H,1-3,15-17,21-26H2,4-11H3/b28-19+,29-20+/t30-,31-,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,45+,48-,49+,50+,51-,52?,53?,54?/m0/s1 |
| InChIKey | GCGOAAPPHJVKFX-SCVMZRSCSA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVsGeyIwhgi |
|---|---|
| Name | 1;ANATOLIOSIDE-E;6-O-[BETA-D-GLUCOPYRANOSYL-(1''''''->6'''''')-(2E,6R)-6-HYDROXY-2,6-DIMETHYLOCTA-2,7-DIENOYL-(1'''''->2''''')-BETA-D-GLUCOPYRANOSYL-(1''''->6' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O24 |
| InChI | InChI=1S/C54H86O24/c1-12-52(9,76-49-41(65)37(61)34(58)31(24-55)70-49)22-16-20-29(7)47(68)74-44-38(62)35(59)32(25-56)71-50(44)77-54(11,14-3)23-17-19-28(6)46(67)73-43-30(8)69-48(42(66)40(43)64)75-45-39(63)36(60)33(26-57)72-51(45)78-53(10,13-2)21-15-18-27(4)5/h12-14,18-20,30-45,48-51,55-66H,1-3,15-17,21-26H2,4-11H3/b28-19+,29-20+/t30-,31-,32-,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,45+,48-,49+,50+,51-,52?,53?,54?/m0/s1 |
| InChIKey | GCGOAAPPHJVKFX-SCVMZRSCSA-N |
| Literature Reference Author | I.CAHS,A.YUERUEKER,H.RUEEGGER,A.D.WRIGHT,O.STICHER |
| Literature Reference Citation | HELV.CHIM.ACTA,76,2563(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760716 |
| Molecular Weight | 1119.262 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP6700 |