| SpectraBase Compound ID | Kak5mpYAtzX |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h6,8,14,17,20-21,23,27H,5,7,9-13,15H2,1-4H3/t17-,20-,21-,23?,24-,25-/m0/s1 |
| InChIKey | WBDQPITVPUAHAN-HQRBXIDZSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C25H36O4 |
| Exact Mass | 400.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GNAw44bE2R |
|---|---|
| Name | CACOSPONGIOLIDE_E;MIXTURE_OF_EPIMERS |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-16-6-5-7-21-24(16,3)12-10-17(2)25(21,4)13-11-18-8-9-20(28-15-18)19-14-22(26)29-23(19)27/h6,8,14,17,20-21,23,27H,5,7,9-13,15H2,1-4H3/t17-,20-,21-,23?,24-,25-/m0/s1 |
| InChIKey | WBDQPITVPUAHAN-HQRBXIDZSA-N |
| Literature Reference Author | S.DEROSA,A.CRISPINO,A.DEGULIO,C.IODICE,R.BENREZZOUK,M.C.TERE NCIO,M.L.FERRANDIZ,M |
| Literature Reference Citation | J.NAT.PROD.,61,931(1998) |
| Literature Reference DOI | 10.1021/np980122t |
| Molecular Weight | 400.558 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ545 |