| SpectraBase Compound ID | FuEbN9MGYRc |
|---|---|
| InChI | InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16+,18-,19+,21+,22-,23-,24+,27-,28-/m1/s1 |
| InChIKey | VKVBSQRURLRCHO-ATDOPPSVSA-N |
| Mol Weight | 640.5 g/mol |
| Molecular Formula | C28H32O17 |
| Exact Mass | 640.16395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5O4DroOzxBc |
|---|---|
| Name | ISOTHAMNETIN-3,4'-DI-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32O17 |
| InChI | InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16+,18-,19+,21+,22-,23-,24+,27-,28-/m1/s1 |
| InChIKey | VKVBSQRURLRCHO-ATDOPPSVSA-N |
| Literature Reference Author | T.KODAMA,H.ISHIDA,T.KOKUBO,T.YAMAKAWA,H.NOGUCHI |
| Literature Reference Citation | AGR.BIOL.CHEM.,54,3283(1990) |
| Literature Reference DOI | 10.1271/bbb1961.54.3283 |
| Molecular Weight | 640.552 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT8002 |