| SpectraBase Compound ID | I2hMErIYRBg |
|---|---|
| InChI | InChI=1S/C22H28O11/c1-21(33-18(28)11-5-3-2-4-6-11)9-13(24)22(29)7-8-30-20(17(21)22)32-19-16(27)15(26)14(25)12(10-23)31-19/h2-8,12-17,19-20,23-27,29H,9-10H2,1H3/t12-,13+,14-,15+,16-,17+,19+,20-,21-,22+/m0/s1 |
| InChIKey | SMCDFJHVOYELKQ-XVENMMKISA-N |
| Mol Weight | 468.46 g/mol |
| Molecular Formula | C22H28O11 |
| Exact Mass | 468.163162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tS5g3jHmZ9 |
|---|---|
| Name | CAPRARIOSIDE;8-O-BENZOYLHARPAGIDE |
| Compound Number | 45 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O11 |
| InChI | InChI=1S/C22H28O11/c1-21(33-18(28)11-5-3-2-4-6-11)9-13(24)22(29)7-8-30-20(17(21)22)32-19-16(27)15(26)14(25)12(10-23)31-19/h2-8,12-17,19-20,23-27,29H,9-10H2,1H3/t12-,13+,14-,15+,16-,17+,19+,20-,21-,22+/m0/s1 |
| InChIKey | SMCDFJHVOYELKQ-XVENMMKISA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 468.458 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16042 |