| SpectraBase Compound ID | JNSvTnIeqyL |
|---|---|
| InChI | InChI=1S/C27H39BrO4/c1-18-6-11-21-24(2,3)22(29)12-13-26(21,5)27(18)15-14-25(4,32-27)16-17-31-23(30)19-7-9-20(28)10-8-19/h7-10,18,21-22,29H,6,11-17H2,1-5H3/t18-,21-,22+,25?,26-,27+/m0/s1 |
| InChIKey | CPSWQHNFHSQEPN-TZTHYBBHSA-N |
| Mol Weight | 507.5 g/mol |
| Molecular Formula | C27H39BrO4 |
| Exact Mass | 506.203173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25lCm0Vnmkr |
|---|---|
| Name | PARA-BROMOBENZOYLESTER-OF-MOPANEOL-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H39BrO4 |
| InChI | InChI=1S/C27H39BrO4/c1-18-6-11-21-24(2,3)22(29)12-13-26(21,5)27(18)15-14-25(4,32-27)16-17-31-23(30)19-7-9-20(28)10-8-19/h7-10,18,21-22,29H,6,11-17H2,1-5H3/t18-,21-,22+,25?,26-,27+/m0/s1 |
| InChIKey | CPSWQHNFHSQEPN-TZTHYBBHSA-N |
| Literature Reference Author | E.REITER,E.TREADWELL,E.CEDERSTROM,P.B.REICHARDT,T.P.CLAUSEN |
| Literature Reference Citation | J.NAT.PROD.,66,30(2003) |
| Literature Reference DOI | 10.1021/np0202430 |
| Molecular Weight | 507.508 g/mol |
| Solvent | CDCl3 |