| SpectraBase Compound ID | IpUIdhTxuOl |
|---|---|
| InChI | InChI=1S/C26H28O14/c1-8-15(27)21(33)23(35)25(38-8)37-7-13-19(31)22(34)24(36)26(40-13)39-12-6-11-14(20(32)18(12)30)17(29)10-5-3-2-4-9(10)16(11)28/h2-6,8,13,15,19,21-27,30-36H,7H2,1H3/t8-,13+,15-,19+,21+,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | ZLRUPIOIQZSSPH-QUKLOYOZSA-N |
| Mol Weight | 564.5 g/mol |
| Molecular Formula | C26H28O14 |
| Exact Mass | 564.147906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lll72d6NOEc |
|---|---|
| Name | ANTHRAGALLOL-3-O-RUTINOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H28O14 |
| InChI | InChI=1S/C26H28O14/c1-8-15(27)21(33)23(35)25(38-8)37-7-13-19(31)22(34)24(36)26(40-13)39-12-6-11-14(20(32)18(12)30)17(29)10-5-3-2-4-9(10)16(11)28/h2-6,8,13,15,19,21-27,30-36H,7H2,1H3/t8-,13+,15-,19+,21+,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | ZLRUPIOIQZSSPH-QUKLOYOZSA-N |
| Literature Reference Author | A.A.EL-GAMAL,K.TAKEYA,H.ITOKAWA,A.F.HALIM,M.M.AMER,H.E.A.SAA D,S.A.AWAD |
| Literature Reference Citation | PHYTOCHEM.,42,1149(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00080-5 |
| Molecular Weight | 564.500 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2982 |