| SpectraBase Compound ID | 8pYgiWXAC59 |
|---|---|
| InChI | InChI=1S/C42H48O21/c1-18-35(55-20(3)44)37(57-22(5)46)39(59-24(7)48)41(53-18)52-17-33-36(56-21(4)45)38(58-23(6)47)40(60-25(8)49)42(63-33)62-32-15-28(54-19(2)43)14-31-34(32)29(50)16-30(61-31)26-10-12-27(51-9)13-11-26/h10-15,18,30,33,35-42H,16-17H2,1-9H3/t18-,30-,33+,35-,36+,37+,38-,39+,40+,41+,42+/m0/s1 |
| InChIKey | AWPTYSGZEDRWJG-LGLXBWCTSA-N |
| Mol Weight | 888.8 g/mol |
| Molecular Formula | C42H48O21 |
| Exact Mass | 888.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JgxigAeyf3 |
|---|---|
| Name | ISOSAKURANETIN-5-O-RUTINOSIDE-HEPTAACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48O21 |
| InChI | InChI=1S/C42H48O21/c1-18-35(55-20(3)44)37(57-22(5)46)39(59-24(7)48)41(53-18)52-17-33-36(56-21(4)45)38(58-23(6)47)40(60-25(8)49)42(63-33)62-32-15-28(54-19(2)43)14-31-34(32)29(50)16-30(61-31)26-10-12-27(51-9)13-11-26/h10-15,18,30,33,35-42H,16-17H2,1-9H3/t18-,30-,33+,35-,36+,37+,38-,39+,40+,41+,42+/m0/s1 |
| InChIKey | AWPTYSGZEDRWJG-LGLXBWCTSA-N |
| Literature Reference Author | M.GONZALEZ-CORTAZAR,A.M.MALDONADO-ABARCA,E.JIMENEZ-FERRER,S. MARQUINA |
| Literature Reference Citation | MOLECULES,18,13260(2013) |
| Literature Reference DOI | 10.3390/molecules181113260 |
| Molecular Weight | 888.831 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR9825 |