| SpectraBase Compound ID | 9E3r0aeaPhq |
|---|---|
| InChI | InChI=1S/C36H48O2S3/c1-33-15-11-25-23-13-17-35(19-21(23)3-5-27(25)29(33)7-9-31(33)37)39-36(41-40-35)18-14-24-22(20-36)4-6-28-26(24)12-16-34(2)30(28)8-10-32(34)38/h19-20,23-30H,3-18H2,1-2H3/t23-,24-,25+,26+,27+,28+,29-,30-,33-,34?,35?,36?/m0/s1 |
| InChIKey | VTOQFLRJQZIVNJ-JZJRCEMASA-N |
| Mol Weight | 609.0 g/mol |
| Molecular Formula | C36H48O2S3 |
| Exact Mass | 608.281644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rvC58suSwY |
|---|---|
| Name | VTOQFLRJQZIVNJ-JZJRCEMASA-N |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O2S3 |
| InChI | InChI=1S/C36H48O2S3/c1-33-15-11-25-23-13-17-35(19-21(23)3-5-27(25)29(33)7-9-31(33)37)39-36(41-40-35)18-14-24-22(20-36)4-6-28-26(24)12-16-34(2)30(28)8-10-32(34)38/h19-20,23-30H,3-18H2,1-2H3/t23-,24-,25+,26+,27+,28+,29-,30-,33-,34?,35?,36?/m0/s1 |
| InChIKey | VTOQFLRJQZIVNJ-JZJRCEMASA-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 | 608.956 g/mol |
| Sample ID | 70910 |
| Solvent | CDCl3 |