| SpectraBase Compound ID | ACo7VxArT48 |
|---|---|
| InChI | InChI=1S/C49H56IN8O12PSi/c1-31-26-57(47(62)52-45(31)60)42-24-38(41(30-59)66-42)68-71(64,65-22-12-21-51)69-39(23-35-29-56(55-54-35)28-33-17-19-34(50)20-18-33)44-40(25-43(67-44)58-27-32(2)46(61)53-48(58)63)70-72(49(3,4)5,36-13-8-6-9-14-36)37-15-10-7-11-16-37/h6-11,13-20,26-27,29,38-44,59H,12,22-25,28,30H2,1-5H3,(H,52,60,62)(H,53,61,63)/t38-,39?,40-,41+,42+,43+,44+,71?/m0/s1 |
| InChIKey | NSCDUFVPQUMJPE-OSTXLSCGSA-N |
| Mol Weight | 1135.0 g/mol |
| Molecular Formula | C49H56IN8O12PSi |
| Exact Mass | 1134.256928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFVHAd461kf |
|---|---|
| Name | NSCDUFVPQUMJPE-OSTXLSCGSA-N |
| Compound Number | 4CT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H56IN8O12PSi |
| InChI | InChI=1S/C49H56IN8O12PSi/c1-31-26-57(47(62)52-45(31)60)42-24-38(41(30-59)66-42)68-71(64,65-22-12-21-51)69-39(23-35-29-56(55-54-35)28-33-17-19-34(50)20-18-33)44-40(25-43(67-44)58-27-32(2)46(61)53-48(58)63)70-72(49(3,4)5,36-13-8-6-9-14-36)37-15-10-7-11-16-37/h6-11,13-20,26-27,29,38-44,59H,12,22-25,28,30H2,1-5H3,(H,52,60,62)(H,53,61,63)/t38-,39?,40-,41+,42+,43+,44+,71?/m0/s1 |
| InChIKey | NSCDUFVPQUMJPE-OSTXLSCGSA-N |
| Literature Reference Author | D.JAMES,J.M.ESCUDIER,M.SZLOSEK-PINAUD,E.FOUQUET |
| Literature Reference Citation | MOLECULES,18,13654(2013) |
| Literature Reference DOI | 10.3390/molecules181113654 |
| Molecular Weight | 1134.994 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR9877 |