![ISOORIENTIN-2''-O-BETA-[6-O-E-PARA-COUMAROYLGLUCOPYRANOSIDE]](/api/spectrum/IcfOPS3YHt8/structure.png?h=300&w=458 "ISOORIENTIN-2''-O-BETA-[6-O-E-PARA-COUMAROYLGLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 4HbzuDhUEmQ |
|---|---|
| InChI | InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+/t23-,24-,28-,29-,31+,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | MWRFISCXYNYBKS-AGJZTCOPSA-N |
| Mol Weight | 756.7 g/mol |
| Molecular Formula | C36H36O18 |
| Exact Mass | 756.190164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IcfOPS3YHt8 |
|---|---|
| Name | ISOORIENTIN-2''-O-BETA-[6-O-E-PARA-COUMAROYLGLUCOPYRANOSIDE] |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O18 |
| InChI | InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+/t23-,24-,28-,29-,31+,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | MWRFISCXYNYBKS-AGJZTCOPSA-N |
| Literature Reference Author | K.R.MARKHAM,G.J.TANNER,M.CAASI-LIT,M.I.WHITECROSS,M.NAYUDU,K .A.MITCHELL |
| Literature Reference Citation | PHYTOCHEM.,49,1913(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00438-5 |
| Molecular Weight | 756.671 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU741 |