| SpectraBase Compound ID | Cm6efPEdYoK |
|---|---|
| InChI | InChI=1S/C50H48F12O12/c1-30-26-37(74-42(66)46(70-5,50(60,61)62)35-24-16-9-17-25-35)38(36(30)29-73-41(65)45(69-4,49(57,58)59)34-22-14-8-15-23-34)31(27-71-39(63)43(67-2,47(51,52)53)32-18-10-6-11-19-32)28-72-40(64)44(68-3,48(54,55)56)33-20-12-7-13-21-33/h6-25,30-31,36-38H,26-29H2,1-5H3/t30-,36+,37+,38-,43-,44-,45-,46+/m0/s1 |
| InChIKey | XTGADIKTVILUAB-DKRCBQADSA-N |
| Mol Weight | 1068.9 g/mol |
| Molecular Formula | C50H48F12O12 |
| Exact Mass | 1068.295415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXBgoMSUAMV |
|---|---|
| Name | (R)-MTPA-TETRAESTER-IRIDANE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H48F12O12 |
| InChI | InChI=1S/C50H48F12O12/c1-30-26-37(74-42(66)46(70-5,50(60,61)62)35-24-16-9-17-25-35)38(36(30)29-73-41(65)45(69-4,49(57,58)59)34-22-14-8-15-23-34)31(27-71-39(63)43(67-2,47(51,52)53)32-18-10-6-11-19-32)28-72-40(64)44(68-3,48(54,55)56)33-20-12-7-13-21-33/h6-25,30-31,36-38H,26-29H2,1-5H3/t30-,36+,37+,38-,43-,44-,45-,46+/m0/s1 |
| InChIKey | XTGADIKTVILUAB-DKRCBQADSA-N |
| Literature Reference Author | F.R.GALLO,G.PALAZZINO,E.FEDERICI,R.IURILLI,F.D.MONACHE,K.CHI FUNDERA,C.GALEFFI |
| Literature Reference Citation | PHYTOCHEM.,67,504(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.007 |
| Molecular Weight | 1068.905 g/mol |
| Sample ID | 66107 |
| Solvent | Unknown |