| SpectraBase Compound ID | Yf57fqPkXs |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-6-10-12-17(7-2)13-11-14-21(9-4)16-18(8-3)19(24-25-21)15-20(22)23-5/h10-12,14,17-19H,6-9,13,15-16H2,1-5H3/b12-10+,14-11+/t17-,18-,19-,21-/m0/s1 |
| InChIKey | XFGVHASPCNQRND-CGCCBNNSSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ivq0U2eSLkc |
|---|---|
| Name | PLAKORTIDE-M-METHYLESTER |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-6-10-12-17(7-2)13-11-14-21(9-4)16-18(8-3)19(24-25-21)15-20(22)23-5/h10-12,14,17-19H,6-9,13,15-16H2,1-5H3/b12-10+,14-11+/t17-,18-,19-,21-/m0/s1 |
| InChIKey | XFGVHASPCNQRND-CGCCBNNSSA-N |
| Literature Reference Author | M.D.S.JIMENEZ,S.P.GARZON,A.D.RODRIGUEZ |
| Literature Reference Citation | J.NAT.PROD.,66,655(2003) |
| Literature Reference DOI | 10.1021/np030021h |
| Molecular Weight | 352.514 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7739 |