| SpectraBase Compound ID | 1LljkYsCm3d |
|---|---|
| InChI | InChI=1S/C19H26O12S/c1-27-16(25)8-6-28-17(31-18-15(24)14(23)13(22)10(4-20)30-18)11-7(3-9(21)12(8)11)5-29-19(26)32-2/h3,6,9-15,17-18,20-24H,4-5H2,1-2H3/t9-,10-,11+,12-,13-,14+,15-,17-,18+/m0/s1 |
| InChIKey | JNDNZIPLLDTLQK-OKEASSFKSA-N |
| Mol Weight | 478.47 g/mol |
| Molecular Formula | C19H26O12S |
| Exact Mass | 478.114497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dFCiLBgIvH |
|---|---|
| Name | PAEDEROSIDIC-ACID-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H26O12S |
| InChI | InChI=1S/C19H26O12S/c1-27-16(25)8-6-28-17(31-18-15(24)14(23)13(22)10(4-20)30-18)11-7(3-9(21)12(8)11)5-29-19(26)32-2/h3,6,9-15,17-18,20-24H,4-5H2,1-2H3/t9-,10-,11+,12-,13-,14+,15-,17-,18+/m0/s1 |
| InChIKey | JNDNZIPLLDTLQK-OKEASSFKSA-N |
| Literature Reference Author | D.N.QUANG,T.HASHIMOTO,M.TANAKA,N.X.DUNG,Y.ASAKAWA |
| Literature Reference Citation | PHYTOCHEM.,60,505(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00096-1 |
| Molecular Weight | 478.468 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1703 |