| SpectraBase Compound ID | Crp0a2M4lK4 |
|---|---|
| InChI | InChI=1S/C27H31BrO5/c1-16-13-22(30)24-26(2,3)23(33-25(31)17-5-7-19(28)8-6-17)9-11-27(24,4)20(16)14-21(29)18-10-12-32-15-18/h5-8,10,12,15,20,22-24,30H,1,9,11,13-14H2,2-4H3/t20-,22+,23-,24-,27+/m0/s1 |
| InChIKey | KCEYHQFWZSQZCV-KMDIMZNHSA-N |
| Mol Weight | 515.44 g/mol |
| Molecular Formula | C27H31BrO5 |
| Exact Mass | 514.135487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16ZXUhYCyr5 |
|---|---|
| Name | 15,16-EPOXY-3-BETA,6-BETA-DIHYDROXY-LABDA-8(17),13(16),14-TRIEN-12-ONE-3-BETA-O-PARA-BrOMOBENZOYL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31BrO5 |
| InChI | InChI=1S/C27H31BrO5/c1-16-13-22(30)24-26(2,3)23(33-25(31)17-5-7-19(28)8-6-17)9-11-27(24,4)20(16)14-21(29)18-10-12-32-15-18/h5-8,10,12,15,20,22-24,30H,1,9,11,13-14H2,2-4H3/t20-,22+,23-,24-,27+/m0/s1 |
| InChIKey | KCEYHQFWZSQZCV-KMDIMZNHSA-N |
| Literature Reference Author | A.ORTEGA,I.SALAZAR,R.GAVINO,E.MALDONADO |
| Literature Reference Citation | PHYTOCHEM.,44,319(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00475-X |
| Molecular Weight | 515.444 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA86 |