| SpectraBase Compound ID | 7ppUgzlFBZM |
|---|---|
| InChI | InChI=1S/C20H28O5/c1-12-6-4-8-13(2)17(22)18-15(14(3)19(23)24-18)10-16-20(11-21,25-16)9-5-7-12/h7-8,15-18,21-22H,3-6,9-11H2,1-2H3/b12-7+,13-8+/t15-,16-,17-,18-,20+/m1/s1 |
| InChIKey | MULWDJOXRRXULO-SVZQVSRYSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LV7lXK8ALjg |
|---|---|
| Name | SINULAROLIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/c1-12-6-4-8-13(2)17(22)18-15(14(3)19(23)24-18)10-16-20(11-21,25-16)9-5-7-12/h7-8,15-18,21-22H,3-6,9-11H2,1-2H3/b12-7+,13-8+/t15-,16-,17-,18-,20+/m1/s1 |
| InChIKey | MULWDJOXRRXULO-SVZQVSRYSA-N |
| Literature Reference Author | G.LI,Y.ZHANG,Z.DENG,L.VANOFWEGEN,P.PROKSCH,W.LIN |
| Literature Reference Citation | J.NAT.PROD.,68,649(2005) |
| Literature Reference DOI | 10.1021/np040197z |
| Molecular Weight | 348.439 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9821 |