| SpectraBase Compound ID | 1kRZp1YPBpf |
|---|---|
| InChI | InChI=1S/C45H55F3O9/c1-8-28-25-43-37(53-5)34(39(51)57-43)36(49)42(9-2)29(17-13-10-11-16-24-41(43,4)26-32(28)38(50)54-6)21-22-31-33(42)23-20-27(3)35(31)56-40(52)44(55-7,45(46,47)48)30-18-14-12-15-19-30/h12,14-16,18-19,21-22,24,26-29,31,33,35H,8-11,13,17,20,23,25H2,1-7H3/b24-16+/t27-,28-,29+,31+,33-,35-,41-,42+,43+,44?/m0/s1 |
| InChIKey | HFBRRFKUESIUHC-FLDGRBLJSA-N |
| Mol Weight | 796.9 g/mol |
| Molecular Formula | C45H55F3O9 |
| Exact Mass | 796.379818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5N9caQdDqiY |
|---|---|
| Name | HFBRRFKUESIUHC-FLDGRBLJSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H55F3O9 |
| InChI | InChI=1S/C45H55F3O9/c1-8-28-25-43-37(53-5)34(39(51)57-43)36(49)42(9-2)29(17-13-10-11-16-24-41(43,4)26-32(28)38(50)54-6)21-22-31-33(42)23-20-27(3)35(31)56-40(52)44(55-7,45(46,47)48)30-18-14-12-15-19-30/h12,14-16,18-19,21-22,24,26-29,31,33,35H,8-11,13,17,20,23,25H2,1-7H3/b24-16+/t27-,28-,29+,31+,33-,35-,41-,42+,43+,44?/m0/s1 |
| InChIKey | HFBRRFKUESIUHC-FLDGRBLJSA-N |
| Literature Reference Author | C.MAZZETTI,M.ORNAGHI,E.DASPARI,S.PARAPINI,S.MAFFIOLI,M.SOSIO ,S.DONADIO |
| Literature Reference Citation | J.NAT.PROD.,75,1044(2012) |
| Literature Reference DOI | 10.1021/np300003n |
| Molecular Weight | 796.922 g/mol |
| Sample ID | 41074 |
| Solvent | CDCl3 |