| SpectraBase Compound ID | 19zrqugdckj |
|---|---|
| InChI | InChI=1S/C36H46O2S/c1-35-17-15-27-25-9-5-23(19-21(25)3-7-29(27)31(35)11-13-33(35)37)39-24-6-10-26-22(20-24)4-8-30-28(26)16-18-36(2)32(30)12-14-34(36)38/h3-4,19-20,25-32H,5-18H2,1-2H3/t25-,26-,27+,28+,29+,30+,31-,32-,35-,36-/m0/s1 |
| InChIKey | CTJWBPFYDJFHIU-FRWJSQGBSA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C36H46O2S |
| Exact Mass | 542.321852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRDuNaxRH6y |
|---|---|
| Name | CTJWBPFYDJFHIU-FRWJSQGBSA-N |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46O2S |
| InChI | InChI=1S/C36H46O2S/c1-35-17-15-27-25-9-5-23(19-21(25)3-7-29(27)31(35)11-13-33(35)37)39-24-6-10-26-22(20-24)4-8-30-28(26)16-18-36(2)32(30)12-14-34(36)38/h3-4,19-20,25-32H,5-18H2,1-2H3/t25-,26-,27+,28+,29+,30+,31-,32-,35-,36-/m0/s1 |
| InChIKey | CTJWBPFYDJFHIU-FRWJSQGBSA-N |
| Literature Reference Author | N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC |
| Literature Reference Citation | MOLECULES,15,3462(2010) |
| Literature Reference DOI | 10.3390/molecules15053462 |
| Molecular Weight | 542.820 g/mol |
| Sample ID | 70908 |
| Solvent | CDCl3 |