| SpectraBase Compound ID | 1B6Nexs0gvR |
|---|---|
| InChI | InChI=1S/C47H55N5O12S2Si/c1-30(53)65-28-34-37(64-43(40(34)55)51-24-20-38(49-45(51)58)48-42(57)31-14-8-5-9-15-31)23-27-66(60,61)29-35-36(63-44(41(35)56)52-25-21-39(54)50-46(52)59)22-26-62-67(47(2,3)4,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-21,24-25,34-37,40-41,43-44,55-56H,22-23,26-29H2,1-4H3,(H,50,54,59)(H,48,49,57,58)/t34-,35+,36+,37-,40-,41+,43-,44+/m0/s1 |
| InChIKey | UPVUYYOTZMHDHF-MCOSTVFQSA-N |
| Mol Weight | 974.2 g/mol |
| Molecular Formula | C47H55N5O12S2Si |
| Exact Mass | 973.305791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2ONXLmtpf9 |
|---|---|
| Name | UPVUYYOTZMHDHF-MCOSTVFQSA-N |
| Compound Number | 37 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H55N5O12S2Si |
| InChI | InChI=1S/C47H55N5O12S2Si/c1-30(53)65-28-34-37(64-43(40(34)55)51-24-20-38(49-45(51)58)48-42(57)31-14-8-5-9-15-31)23-27-66(60,61)29-35-36(63-44(41(35)56)52-25-21-39(54)50-46(52)59)22-26-62-67(47(2,3)4,32-16-10-6-11-17-32)33-18-12-7-13-19-33/h5-21,24-25,34-37,40-41,43-44,55-56H,22-23,26-29H2,1-4H3,(H,50,54,59)(H,48,49,57,58)/t34-,35+,36+,37-,40-,41+,43-,44+/m0/s1 |
| InChIKey | UPVUYYOTZMHDHF-MCOSTVFQSA-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 | 974.185 g/mol |
| Sample ID | 57108 |
| Solvent | CDCl3:CD3OD |