| SpectraBase Compound ID | 5sGS8lqOthY |
|---|---|
| InChI | InChI=1S/C33H40O20/c34-8-18-22(39)24(41)27(44)31(50-18)47-12-3-1-11(2-4-12)16-7-15(38)21-14(37)5-13(6-17(21)49-16)48-32-29(46)26(43)30(20(10-36)52-32)53-33-28(45)25(42)23(40)19(9-35)51-33/h1-7,18-20,22-37,39-46H,8-10H2/t18-,19-,20?,22-,23-,24+,25+,26?,27-,28-,29+,30+,31-,32+,33+/m0/s1 |
| InChIKey | NVYCRSROJRTVQP-FCBSQZKQSA-N |
| Mol Weight | 756.7 g/mol |
| Molecular Formula | C33H40O20 |
| Exact Mass | 756.211294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aDi7ghOmHp |
|---|---|
| Name | APIGENIN-7-O-CELLOBIOSIDE-4'-O-GLUCOSIDE;APIGENIN-7-O-BETA-D-GLUCOPYRANOSYL-(1'''->4'')-BETA-D-GLUCOPYRANOSIDE-4'-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O20 |
| InChI | InChI=1S/C33H40O20/c34-8-18-22(39)24(41)27(44)31(50-18)47-12-3-1-11(2-4-12)16-7-15(38)21-14(37)5-13(6-17(21)49-16)48-32-29(46)26(43)30(20(10-36)52-32)53-33-28(45)25(42)23(40)19(9-35)51-33/h1-7,18-20,22-37,39-46H,8-10H2/t18-,19-,20?,22-,23-,24+,25+,26?,27-,28-,29+,30+,31-,32+,33+/m0/s1 |
| InChIKey | NVYCRSROJRTVQP-FCBSQZKQSA-N |
| Literature Reference Author | N.C.VEITCH,R.J.GRAYER,J.L.IRWIN,K.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,48,389(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01111-4 |
| Molecular Weight | 756.669 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS1013 |