![ACERIFOLIOSIDE;[1S-[1-ALPHA,4-ALPHA-ALPHA,6-ALPHA-(2R',3S',4R'),7-ALPHA,7-ALPHA-ALPHA]]-1,6-DI-[[[3-ETHENYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDR](/api/spectrum/BFD1gvcN32z/structure.png?h=300&w=458 "ACERIFOLIOSIDE;[1S-[1-ALPHA,4-ALPHA-ALPHA,6-ALPHA-(2R',3S',4R'),7-ALPHA,7-ALPHA-ALPHA]]-1,6-DI-[[[3-ETHENYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDR")
| SpectraBase Compound ID | FepOJ7SWHBj |
|---|---|
| InChI | InChI=1S/C45H60O25/c1-7-18-20(23(38(56)59-4)14-62-41(18)69-44-36(54)34(52)32(50)27(12-46)66-44)10-29(48)65-26-9-22-25(40(58)61-6)16-64-43(31(22)17(26)3)68-30(49)11-21-19(8-2)42(63-15-24(21)39(57)60-5)70-45-37(55)35(53)33(51)28(13-47)67-45/h7-8,14-22,26-28,31-37,41-47,50-55H,1-2,9-13H2,3-6H3/t17-,18?,19?,20?,21?,22?,26-,27-,28+,31?,32-,33+,34+,35-,36-,37+,41-,42+,43-,44+,45-/m0/s1 |
| InChIKey | LVPHTDFQVCHITK-XUAIWUAMSA-N |
| Mol Weight | 1000.9 g/mol |
| Molecular Formula | C45H60O25 |
| Exact Mass | 1000.342367 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFD1gvcN32z |
|---|---|
| Name | ACERIFOLIOSIDE;[1S-[1-ALPHA,4-ALPHA-ALPHA,6-ALPHA-(2R',3S',4R'),7-ALPHA,7-ALPHA-ALPHA]]-1,6-DI-[[[3-ETHENYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDR |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H60O25 |
| InChI | InChI=1S/C45H60O25/c1-7-18-20(23(38(56)59-4)14-62-41(18)69-44-36(54)34(52)32(50)27(12-46)66-44)10-29(48)65-26-9-22-25(40(58)61-6)16-64-43(31(22)17(26)3)68-30(49)11-21-19(8-2)42(63-15-24(21)39(57)60-5)70-45-37(55)35(53)33(51)28(13-47)67-45/h7-8,14-22,26-28,31-37,41-47,50-55H,1-2,9-13H2,3-6H3/t17-,18?,19?,20?,21?,22?,26-,27-,28+,31?,32-,33+,34+,35-,36-,37+,41-,42+,43-,44+,45-/m0/s1 |
| InChIKey | LVPHTDFQVCHITK-XUAIWUAMSA-N |
| Literature Reference Author | A.A.MUELLER,M.WEIGEND |
| Literature Reference Citation | PHYTOCHEM.,49,131(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01000-5 |
| Molecular Weight | 1000.956 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU21 |