| SpectraBase Compound ID | 2qHJSiDA0rg |
|---|---|
| InChI | InChI=1S/C46H80O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-29-44(49)51-35-24-28-42-41(40(6)36-47)32-34-46(8,50)45(42,7)33-23-27-39(5)43(48)31-30-38(4)26-22-25-37(2)3/h25,27,30,36,42-43,48,50H,9-24,26,28-29,31-35H2,1-8H3/b38-30+,39-27+,41-40-/t42-,43?,45+,46+/m1/s1 |
| InChIKey | LCUTYJNSPXSBGY-WNSDBOJVSA-N |
| Mol Weight | 713.1 g/mol |
| Molecular Formula | C46H80O5 |
| Exact Mass | 712.600576 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mNPtnBJ0Cj |
|---|---|
| Name | IRISTECTORENE-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O5 |
| InChI | InChI=1S/C46H80O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-29-44(49)51-35-24-28-42-41(40(6)36-47)32-34-46(8,50)45(42,7)33-23-27-39(5)43(48)31-30-38(4)26-22-25-37(2)3/h25,27,30,36,42-43,48,50H,9-24,26,28-29,31-35H2,1-8H3/b38-30+,39-27+,41-40-/t42-,43?,45+,46+/m1/s1 |
| InChIKey | LCUTYJNSPXSBGY-WNSDBOJVSA-N |
| Literature Reference Author | K.SEKI,T.TOMIHARI,K.HAGA,R.KANEKO |
| Literature Reference Citation | PHYTOCHEM.,36,425(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97089-4 |
| Molecular Weight | 713.138 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25215 |