| SpectraBase Compound ID | 8Qnk0CbmTWU |
|---|---|
| InChI | InChI=1S/C42H58NO.C2HF3O2/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9;3-2(4,5)1(6)7/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3;(H,6,7)/q+1;/p-1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+; |
| InChIKey | ZFPRGIJSRMWZMS-KFKWWMHDSA-M |
| Mol Weight | 705.9 g/mol |
| Molecular Formula | C44H58F3NO3 |
| Exact Mass | 705.436879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvESze5KfiH |
|---|---|
| Name | A2-E |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58F3NO3 |
| InChI | InChI=1S/C42H58NO.C2HF3O2/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9;3-2(4,5)1(6)7/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3;(H,6,7)/q+1;/p-1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+; |
| InChIKey | ZFPRGIJSRMWZMS-KFKWWMHDSA-M |
| Literature Reference Author | N.SAKAI,J.DECATUR,K.NAKANISHI,G.E.ELDRED |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,1559(1996) |
| Literature Reference DOI | 10.1021/ja953480g |
| Molecular Weight | 705.945 g/mol |
| Sample ID | 38343 |
| Solvent | CDCl3 |