| SpectraBase Compound ID | 6WQcD1BKacQ |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-12-7-6-8-13(2)16-9-10-22(5)19(16)14(3)18(20(24)21(22)25)17(11-12)26-15(4)23/h6,8,12,16-17,19-21,24-25H,2,7,9-11H2,1,3-5H3/b8-6+/t12-,16-,17-,19+,20+,21-,22-/m0/s1 |
| InChIKey | MFQMDGWMCMFFMH-MCIMDNDQSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I901uNeq7FF |
|---|---|
| Name | 14-ALPHA-ACETOXY-2-BETA,3-ALPHA-HYDROXY-1(15),8(19),9-TRINERVITATRIENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-12-7-6-8-13(2)16-9-10-22(5)19(16)14(3)18(20(24)21(22)25)17(11-12)26-15(4)23/h6,8,12,16-17,19-21,24-25H,2,7,9-11H2,1,3-5H3/b8-6+/t12-,16-,17-,19+,20+,21-,22-/m0/s1 |
| InChIKey | MFQMDGWMCMFFMH-MCIMDNDQSA-N |
| Literature Reference Author | P.LAURENT,D.DALOZE,J.M.PASTEELS,J.C.BRAEKMAN |
| Literature Reference Citation | J.NAT.PROD.,68,532(2005) |
| Literature Reference DOI | 10.1021/np040243v |
| Molecular Weight | 360.494 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9453 |