| SpectraBase Compound ID | CLI1jIYFdc5 |
|---|---|
| InChI | InChI=1S/C44H74O5/c1-9-10-11-12-13-14-15-16-17-18-19-27-42(47)49-33-22-26-40-39(38(6)34-45)30-32-44(8,48)43(40,7)31-21-25-37(5)41(46)29-28-36(4)24-20-23-35(2)3/h12-13,23,25,28,34,40-41,46,48H,9-11,14-22,24,26-27,29-33H2,1-8H3/b13-12-,36-28+,37-25+,39-38+/t40-,41?,43+,44+/m1/s1 |
| InChIKey | MPHZATYEHALXRU-OIQPTKKYSA-N |
| Mol Weight | 683.1 g/mol |
| Molecular Formula | C44H74O5 |
| Exact Mass | 682.553625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E28CaJ5wuIb |
|---|---|
| Name | IRISTECTORENE-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H74O5 |
| InChI | InChI=1S/C44H74O5/c1-9-10-11-12-13-14-15-16-17-18-19-27-42(47)49-33-22-26-40-39(38(6)34-45)30-32-44(8,48)43(40,7)31-21-25-37(5)41(46)29-28-36(4)24-20-23-35(2)3/h12-13,23,25,28,34,40-41,46,48H,9-11,14-22,24,26-27,29-33H2,1-8H3/b13-12-,36-28+,37-25+,39-38+/t40-,41?,43+,44+/m1/s1 |
| InChIKey | MPHZATYEHALXRU-OIQPTKKYSA-N |
| Literature Reference Author | K.SEKI,T.TOMIHARI,K.HAGA,R.KANEKO |
| Literature Reference Citation | PHYTOCHEM.,37,807(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90362-5 |
| Molecular Weight | 683.069 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23487 |