| SpectraBase Compound ID | 2pJSFNB6A2l |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-11-6-5-7-12(2)15-8-9-20(4,25-15)18(22)17-16(14(21)10-11)13(3)19(23)24-17/h6,12-13,15-18,22H,5,7-10H2,1-4H3/b11-6+/t12-,13+,15+,16-,17-,18+,20-/m0/s1 |
| InChIKey | UWAIXFGHQNPRSB-DYOCNAENSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qCnaZXY64T |
|---|---|
| Name | PACHYCLAVULARIOLIDE-Q |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-11-6-5-7-12(2)15-8-9-20(4,25-15)18(22)17-16(14(21)10-11)13(3)19(23)24-17/h6,12-13,15-18,22H,5,7-10H2,1-4H3/b11-6+/t12-,13+,15+,16-,17-,18+,20-/m0/s1 |
| InChIKey | UWAIXFGHQNPRSB-DYOCNAENSA-N |
| Literature Reference Author | J.H.SHEU,G.H.WANG,C.Y.DUH,K.SOONG |
| Literature Reference Citation | J.NAT.PROD.,66,662(2003) |
| Literature Reference DOI | 10.1021/np020603j |
| Molecular Weight | 350.455 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7746 |