| SpectraBase Compound ID | Fo2AR62Aiyo |
|---|---|
| InChI | InChI=1S/C74H96O6/c1-47-17-35-69(75)79-57-37-39-72(4)56(41-57)28-30-60-64-34-32-62(74(64,6)68(44-66(60)72)78-46-50-21-25-54(26-22-50)52-15-11-8-12-16-52)48(2)18-36-70(76)80-58-38-40-71(3)55(42-58)27-29-59-63-33-31-61(47)73(63,5)67(43-65(59)71)77-45-49-19-23-53(24-20-49)51-13-9-7-10-14-51/h7-16,19-26,47-48,55-68H,17-18,27-46H2,1-6H3/t47?,48?,55?,56?,57-,58-,59+,60+,61+,62+,63?,64?,65+,66+,67+,68+,71+,72+,73-,74-/m1/s1 |
| InChIKey | DMSCVEHDOAOKOT-QCOTVOHDSA-N |
| Mol Weight | 1081.6 g/mol |
| Molecular Formula | C74H96O6 |
| Exact Mass | 1080.720691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kbkrs0Z1B6q |
|---|---|
| Name | DMSCVEHDOAOKOT-QCOTVOHDSA-N |
| Compound Number | 17B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H96O6 |
| InChI | InChI=1S/C74H96O6/c1-47-17-35-69(75)79-57-37-39-72(4)56(41-57)28-30-60-64-34-32-62(74(64,6)68(44-66(60)72)78-46-50-21-25-54(26-22-50)52-15-11-8-12-16-52)48(2)18-36-70(76)80-58-38-40-71(3)55(42-58)27-29-59-63-33-31-61(47)73(63,5)67(43-65(59)71)77-45-49-19-23-53(24-20-49)51-13-9-7-10-14-51/h7-16,19-26,47-48,55-68H,17-18,27-46H2,1-6H3/t47?,48?,55?,56?,57-,58-,59+,60+,61+,62+,63?,64?,65+,66+,67+,68+,71+,72+,73-,74-/m1/s1 |
| InChIKey | DMSCVEHDOAOKOT-QCOTVOHDSA-N |
| Literature Reference Author | P.A.BRADY,J.K.M.SANDERS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3237(1997) |
| Literature Reference DOI | 10.1039/a703390g |
| Molecular Weight | 1081.573 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12134 |