| SpectraBase Compound ID | IY5ReoPDaUf |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-16(28)31-22-14-21-25(4)12-7-11-24(2,3)19(25)10-13-26(21,5)20-9-8-17-18(27(20,22)6)15-30-23(17)29/h8,18-22H,7,9-15H2,1-6H3/t18-,19-,20-,21+,22+,25-,26-,27+/m0/s1 |
| InChIKey | BTGJLMDMCKFWNM-MGHNXQGFSA-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 | EuwRsTGD2Xj |
|---|---|
| Name | 12-EPI-19-DEOXYSCALARIN |
| Compound Number | 6 |
| 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)31-22-14-21-25(4)12-7-11-24(2,3)19(25)10-13-26(21,5)20-9-8-17-18(27(20,22)6)15-30-23(17)29/h8,18-22H,7,9-15H2,1-6H3/t18-,19-,20-,21+,22+,25-,26-,27+/m0/s1 |
| InChIKey | BTGJLMDMCKFWNM-MGHNXQGFSA-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 | UWMZ6640 |