![PARISHIN;TRIS-[4-(BETA-D-GLOCOPYRANOSYLOXY)-BENZYL]-CITRATE](/api/spectrum/1s5D7w1oLMb/structure.png?h=300&w=458 "PARISHIN;TRIS-[4-(BETA-D-GLOCOPYRANOSYLOXY)-BENZYL]-CITRATE")
| SpectraBase Compound ID | 6tqgBoG9eqc |
|---|---|
| InChI | InChI=1S/C45H56O25/c46-15-27-32(51)35(54)38(57)41(68-27)65-24-7-1-21(2-8-24)18-62-30(49)13-45(61,44(60)64-20-23-5-11-26(12-6-23)67-43-40(59)37(56)34(53)29(17-48)70-43)14-31(50)63-19-22-3-9-25(10-4-22)66-42-39(58)36(55)33(52)28(16-47)69-42/h1-12,27-29,32-43,46-48,51-59,61H,13-20H2/t27-,28-,29+,32-,33-,34+,35+,36+,37-,38-,39-,40+,41-,42-,43+/m0/s1 |
| InChIKey | WYKQPGOKTKQHQG-VCGMKTBDSA-N |
| Mol Weight | 996.9 g/mol |
| Molecular Formula | C45H56O25 |
| Exact Mass | 996.311067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1s5D7w1oLMb |
|---|---|
| Name | PARISHIN;TRIS-[4-(BETA-D-GLOCOPYRANOSYLOXY)-BENZYL]-CITRATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H56O25 |
| InChI | InChI=1S/C45H56O25/c46-15-27-32(51)35(54)38(57)41(68-27)65-24-7-1-21(2-8-24)18-62-30(49)13-45(61,44(60)64-20-23-5-11-26(12-6-23)67-43-40(59)37(56)34(53)29(17-48)70-43)14-31(50)63-19-22-3-9-25(10-4-22)66-42-39(58)36(55)33(52)28(16-47)69-42/h1-12,27-29,32-43,46-48,51-59,61H,13-20H2/t27-,28-,29+,32-,33-,34+,35+,36+,37-,38-,39-,40+,41-,42-,43+/m0/s1 |
| InChIKey | WYKQPGOKTKQHQG-VCGMKTBDSA-N |
| Literature Reference Author | J.H.LIN,Y.C.LIU,J.P.HAU,K.C.WEN |
| Literature Reference Citation | PHYTOCHEM.,42,549(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00955-8 |
| Molecular Weight | 996.925 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU3426 |