| SpectraBase Compound ID | 9YQ5E6O6QIk |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-16(28)30-23-21-17(22(29)31-23)8-9-19-26(5)14-10-18-24(2,3)12-7-13-25(18,4)20(26)11-15-27(19,21)6/h8,18-21,23H,7,9-15H2,1-6H3/t18-,19-,20+,21+,23+,25-,26-,27-/m0/s1 |
| InChIKey | FWKSHXYKUMEBJI-YCHJHXPOSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3m68CWA3fla |
|---|---|
| Name | 12-DEACETOXYSCALARIN-19-ACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-16(28)30-23-21-17(22(29)31-23)8-9-19-26(5)14-10-18-24(2,3)12-7-13-25(18,4)20(26)11-15-27(19,21)6/h8,18-21,23H,7,9-15H2,1-6H3/t18-,19-,20+,21+,23+,25-,26-,27-/m0/s1 |
| InChIKey | FWKSHXYKUMEBJI-YCHJHXPOSA-N |
| Literature Reference Author | S.N.WONGANUCHITMETA,S.YUENYONGSAWAD,N.KEAWPRADUB,A.PLUBRUKAR N |
| Literature Reference Citation | J.NAT.PROD.,67,1767(2004) |
| Literature Reference DOI | 10.1021/np0498354 |
| Molecular Weight | 428.612 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMZ6639 |