| SpectraBase Compound ID | ICSpPWCxvkJ |
|---|---|
| InChI | InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47+ |
| InChIKey | BDMCAOBQLHJGBE-YXHDTQETSA-N |
| Mol Weight | 835.4 g/mol |
| Molecular Formula | C60H98O |
| Exact Mass | 834.761768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLkAKNdcDzd |
|---|---|
| Name | FICAPRENOL-12 |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H98O |
| InChI | InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47+ |
| InChIKey | BDMCAOBQLHJGBE-YXHDTQETSA-N |
| Literature Reference Author | M.L.D.MIRANDA,A.F.SOUZA,E.D.RODRIGUES,F.R.GARCEZ,W.S.GARCEZ, A.ABOT |
| Literature Reference Citation | QUIM.NOVA,35,1306(2012) |
| Literature Reference DOI | 10.1590/s0100-40422012000700005 |
| Molecular Weight | 835.438 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR12512 |