| SpectraBase Compound ID | Doz4CXOzK2f |
|---|---|
| InChI | InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7?,8-,9-,11-,12+,13-,16+/m1/s1 |
| InChIKey | GWQDOJFHKGUWPV-ZGMSFWHYSA-N |
| Mol Weight | 358.34 g/mol |
| Molecular Formula | C16H22O9 |
| Exact Mass | 358.126382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uT3eqePfhc |
|---|---|
| Name | IRIDOLINAROSIDE_A;7-DEOXYIRIDOLACTONIC_ACID_BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H22O9 |
| InChI | InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7?,8-,9-,11-,12+,13-,16+/m1/s1 |
| InChIKey | GWQDOJFHKGUWPV-ZGMSFWHYSA-N |
| Literature Reference Author | H.OTSUKA |
| Literature Reference Citation | PHYTOCHEM.,39,1111(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00101-C |
| Molecular Weight | 358.345 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ9047 |