| SpectraBase Compound ID | F3YUc7xR3N6 |
|---|---|
| InChI | InChI=1S/C48H84O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-46(51)53-37-26-30-44-43(42(6)38-49)34-36-48(8,52)47(44,7)35-25-29-41(5)45(50)33-32-40(4)28-24-27-39(2)3/h27,29,32,38,44-45,50,52H,9-26,28,30-31,33-37H2,1-8H3/b40-32+,41-29+,43-42-/t44-,45?,47+,48+/m1/s1 |
| InChIKey | JELCKWIUSSGOOT-NXKOOINNSA-N |
| Mol Weight | 741.2 g/mol |
| Molecular Formula | C48H84O5 |
| Exact Mass | 740.631876 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cOcXsqBrXJ |
|---|---|
| Name | IRISTECTORENE-G |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H84O5 |
| InChI | InChI=1S/C48H84O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-46(51)53-37-26-30-44-43(42(6)38-49)34-36-48(8,52)47(44,7)35-25-29-41(5)45(50)33-32-40(4)28-24-27-39(2)3/h27,29,32,38,44-45,50,52H,9-26,28,30-31,33-37H2,1-8H3/b40-32+,41-29+,43-42-/t44-,45?,47+,48+/m1/s1 |
| InChIKey | JELCKWIUSSGOOT-NXKOOINNSA-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 | 741.192 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25217 |