| SpectraBase Compound ID | Ddl4yhyiY0a |
|---|---|
| InChI | InChI=1S/C54H88S3/c1-35(2)13-11-15-37(5)43-21-23-45-41-19-17-39-33-53(31-29-49(39,7)47(41)25-27-51(43,45)9)55-54(57-56-53)32-30-50(8)40(34-54)18-20-42-46-24-22-44(38(6)16-12-14-36(3)4)52(46,10)28-26-48(42)50/h33-38,41-48H,11-32H2,1-10H3/t37?,38?,41-,42+,43+,44-,45-,46+,47-,48+,49-,50+,51+,52-,53?,54? |
| InChIKey | JTMPXKFLJAKWPK-PHZDNXFKSA-N |
| Mol Weight | 833.5 g/mol |
| Molecular Formula | C54H88S3 |
| Exact Mass | 832.604816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cfWEc2UY8M |
|---|---|
| Name | JTMPXKFLJAKWPK-PHZDNXFKSA-N |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88S3 |
| InChI | InChI=1S/C54H88S3/c1-35(2)13-11-15-37(5)43-21-23-45-41-19-17-39-33-53(31-29-49(39,7)47(41)25-27-51(43,45)9)55-54(57-56-53)32-30-50(8)40(34-54)18-20-42-46-24-22-44(38(6)16-12-14-36(3)4)52(46,10)28-26-48(42)50/h33-38,41-48H,11-32H2,1-10H3/t37?,38?,41-,42+,43+,44-,45-,46+,47-,48+,49-,50+,51+,52-,53?,54? |
| InChIKey | JTMPXKFLJAKWPK-PHZDNXFKSA-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 | 833.473 g/mol |
| Sample ID | 70903 |
| Solvent | CDCl3 |