| SpectraBase Compound ID | IGv0k6yDeFU |
|---|---|
| InChI | InChI=1S/C49H62O24/c1-24(2)17-49(48(64)66-23-27-7-14-30(15-8-27)68-46-43(63)40(60)37(57)32(20-51)70-46,18-35(55)65-22-26-5-12-29(13-6-26)67-45-42(62)39(59)36(56)31(19-50)69-45)73-47-44(41(61)38(58)33(21-52)71-47)72-34(54)16-9-25-3-10-28(53)11-4-25/h3-16,24,31-33,36-47,50-53,56-63H,17-23H2,1-2H3/b16-9+/t31-,32-,33-,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46-,47+,49-/m1/s1 |
| InChIKey | SZHNZLZOPHBLTI-JXOWBQCWSA-N |
| Mol Weight | 1035.0 g/mol |
| Molecular Formula | C49H62O24 |
| Exact Mass | 1034.363103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlE8mgu6LVo |
|---|---|
| Name | #4;SHANCIGUSIN-H;(2R)-2-BETA-D-GLUCOPYRANOSYL-OXY-(2-CINNAMATEESTER)-2-(2-METHYLPROPYL)-BUTANEDIOIC-ACID-BIS-(4-BETA-D-GLUCOPYRANOSYL-OXY-BENZYL)-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H62O24 |
| InChI | InChI=1S/C49H62O24/c1-24(2)17-49(48(64)66-23-27-7-14-30(15-8-27)68-46-43(63)40(60)37(57)32(20-51)70-46,18-35(55)65-22-26-5-12-29(13-6-26)67-45-42(62)39(59)36(56)31(19-50)69-45)73-47-44(41(61)38(58)33(21-52)71-47)72-34(54)16-9-25-3-10-28(53)11-4-25/h3-16,24,31-33,36-47,50-53,56-63H,17-23H2,1-2H3/b16-9+/t31-,32-,33-,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46-,47+,49-/m1/s1 |
| InChIKey | SZHNZLZOPHBLTI-JXOWBQCWSA-N |
| Literature Reference Author | H.L.DONG,H.Q.LIANG,C.L.WANG,S.X.GUO,J.S.YANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,371(2013) |
| Literature Reference DOI | 10.1002/mrc.3953 |
| Molecular Weight | 1035.017 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR13026 |