| SpectraBase Compound ID | HCHLs5lkX19 |
|---|---|
| InChI | InChI=1S/C45H53N5O12SSi/c1-45(2,3)64(30-15-9-5-10-16-30,31-17-11-6-12-18-31)60-25-21-34-33(39(54)42(61-34)50-24-20-37(52)48-44(50)57)28-63(58,59)26-22-35-32(27-51)38(53)41(62-35)49-23-19-36(47-43(49)56)46-40(55)29-13-7-4-8-14-29/h4-20,23-24,32-35,38-39,41-42,51,53-54H,21-22,25-28H2,1-3H3,(H,48,52,57)(H,46,47,55,56)/t32-,33+,34+,35-,38-,39+,41-,42+/m0/s1 |
| InChIKey | LBEWTVLPUNYADC-WEMQQGNGSA-N |
| Mol Weight | 916.1 g/mol |
| Molecular Formula | C45H53N5O12SSi |
| Exact Mass | 915.31807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AvPKAEzZ0G |
|---|---|
| Name | LBEWTVLPUNYADC-WEMQQGNGSA-N |
| Compound Number | 35 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H53N5O12SSi |
| InChI | InChI=1S/C45H53N5O12SSi/c1-45(2,3)64(30-15-9-5-10-16-30,31-17-11-6-12-18-31)60-25-21-34-33(39(54)42(61-34)50-24-20-37(52)48-44(50)57)28-63(58,59)26-22-35-32(27-51)38(53)41(62-35)49-23-19-36(47-43(49)56)46-40(55)29-13-7-4-8-14-29/h4-20,23-24,32-35,38-39,41-42,51,53-54H,21-22,25-28H2,1-3H3,(H,48,52,57)(H,46,47,55,56)/t32-,33+,34+,35-,38-,39+,41-,42+/m0/s1 |
| InChIKey | LBEWTVLPUNYADC-WEMQQGNGSA-N |
| Literature Reference Author | C.RICHERT,A.L.ROUGHTON,S.A.BENNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,4518(1996) |
| Literature Reference DOI | 10.1021/ja952322m |
| Molecular Weight | 916.088 g/mol |
| Sample ID | 57106 |
| Solvent | CDCl3 |