| 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 | 7DNqggGZcf4 |
|---|---|
| Name | PAEDEROSIDIC-ACID-METHYLESTER |
| Compound Number | 266 |
| 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 | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 478.468 g/mol |
| Sample ID | 38062 |
| Solvent | CD3OD |