| SpectraBase Compound ID | 8bqh7jkH3cH |
|---|---|
| InChI | InChI=1S/C42H48O5/c1-26(2)37-14-12-27(3)9-7-15-42(25-43)34-17-29(5)11-13-31-22-40(46)32(23-39(31)45)16-28(4)8-6-10-30(18-34)19-35(42)20-33-21-36(44)24-38(37)41(33)47/h8-9,11,18,21-25,34-35,37H,1,6-7,10,12-17,19-20H2,2-5H3/b27-9-,28-8-,29-11+/t34-,35+,37+,42-/m1/s1 |
| InChIKey | IQYUYMLTDIXDMM-TTWCOBSASA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C42H48O5 |
| Exact Mass | 632.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxNaTGM58dL |
|---|---|
| Name | LONGITHORONE_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48O5 |
| InChI | InChI=1S/C42H48O5/c1-26(2)37-14-12-27(3)9-7-15-42(25-43)34-17-29(5)11-13-31-22-40(46)32(23-39(31)45)16-28(4)8-6-10-30(18-34)19-35(42)20-33-21-36(44)24-38(37)41(33)47/h8-9,11,18,21-25,34-35,37H,1,6-7,10,12-17,19-20H2,2-5H3/b27-9-,28-8-,29-11+/t34-,35+,37+,42-/m1/s1 |
| InChIKey | IQYUYMLTDIXDMM-TTWCOBSASA-N |
| Literature Reference Author | X.FU,M.B.HOSSAIN,F.J.SCHMITZ,D.VANDERHELM |
| Literature Reference Citation | J.ORG.CHEM.,62,3810(1997) |
| Literature Reference DOI | 10.1021/jo9702204 |
| Molecular Weight | 632.840 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ4223 |