| SpectraBase Compound ID | GmVi2yYdeCQ |
|---|---|
| InChI | InChI=1S/C42H58O2S/c1-25(43)33-11-13-35-31-9-7-27-23-29(15-19-39(27,3)37(31)17-21-41(33,35)5)45-30-16-20-40(4)28(24-30)8-10-32-36-14-12-34(26(2)44)42(36,6)22-18-38(32)40/h7-8,23-24,31-38H,9-22H2,1-6H3/t31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1 |
| InChIKey | IGCXWPRGPSCPTQ-IILUYDORSA-N |
| Mol Weight | 627.0 g/mol |
| Molecular Formula | C42H58O2S |
| Exact Mass | 626.415752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWXmSq6ndiu |
|---|---|
| Name | IGCXWPRGPSCPTQ-IILUYDORSA-N |
| Compound Number | 2D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58O2S |
| InChI | InChI=1S/C42H58O2S/c1-25(43)33-11-13-35-31-9-7-27-23-29(15-19-39(27,3)37(31)17-21-41(33,35)5)45-30-16-20-40(4)28(24-30)8-10-32-36-14-12-34(26(2)44)42(36,6)22-18-38(32)40/h7-8,23-24,31-38H,9-22H2,1-6H3/t31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1 |
| InChIKey | IGCXWPRGPSCPTQ-IILUYDORSA-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 | 626.981 g/mol |
| Sample ID | 70913 |
| Solvent | CDCl3 |