| SpectraBase Compound ID | G6h3XVvRfsv |
|---|---|
| InChI | InChI=1S/C33H32O17/c34-12-22-26(40)27(41)28(42)33(49-22)48-20-9-13(1-5-17(20)36)10-21(31(43)44)47-23(39)8-4-14-2-7-18(37)30-24(14)25(32(45)46)29(50-30)15-3-6-16(35)19(38)11-15/h1-9,11,21-22,25-29,33-38,40-42H,10,12H2,(H,43,44)(H,45,46)/b8-4+/t21-,22+,25+,26+,27-,28+,29-,33+/m1/s1 |
| InChIKey | QWXKLFKNMQGYKA-CBIUNUJESA-N |
| Mol Weight | 700.6 g/mol |
| Molecular Formula | C33H32O17 |
| Exact Mass | 700.16395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIZ3G7Qpjz9 |
|---|---|
| Name | CLINOPODIC-ACID-Q |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H32O17 |
| InChI | InChI=1S/C33H32O17/c34-12-22-26(40)27(41)28(42)33(49-22)48-20-9-13(1-5-17(20)36)10-21(31(43)44)47-23(39)8-4-14-2-7-18(37)30-24(14)25(32(45)46)29(50-30)15-3-6-16(35)19(38)11-15/h1-9,11,21-22,25-29,33-38,40-42H,10,12H2,(H,43,44)(H,45,46)/b8-4+/t21-,22+,25+,26+,27-,28+,29-,33+/m1/s1 |
| InChIKey | QWXKLFKNMQGYKA-CBIUNUJESA-N |
| Literature Reference Author | H.AOSHIMA,T.MIYASE,T.WARASHINA |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,499(2012) |
| Literature Reference DOI | 10.1248/cpb.60.499 |
| Molecular Weight | 700.607 g/mol |
| Source File Reference | UWBT4467 |