| SpectraBase Compound ID | K1cseIFnR44 |
|---|---|
| InChI | InChI=1S/C22H36O5/c1-12(2)15-7-10-22(6,27-14(4)23)19-17-11-13(3)16(24)8-9-21(5,25)20(26-17)18(15)19/h12,15-20,24-25H,3,7-11H2,1-2,4-6H3/t15-,16+,17-,18-,19-,20-,21-,22-/m1/s1 |
| InChIKey | JFAUVIHJDLKYTJ-CSHDGZMQSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H36O5 |
| Exact Mass | 380.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HjKcoPzdYdv |
|---|---|
| Name | SIMPLEXIN-S |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O5 |
| InChI | InChI=1S/C22H36O5/c1-12(2)15-7-10-22(6,27-14(4)23)19-17-11-13(3)16(24)8-9-21(5,25)20(26-17)18(15)19/h12,15-20,24-25H,3,7-11H2,1-2,4-6H3/t15-,16+,17-,18-,19-,20-,21-,22-/m1/s1 |
| InChIKey | JFAUVIHJDLKYTJ-CSHDGZMQSA-N |
| Literature Reference Author | S.L.WU,J.H.SU,C.Y.HUANG,C.J.TAI,P.J.SUNG,C.C.LIAW,J.H.SHEU |
| Literature Reference Citation | MAR.DRUGS,10,1203(2012) |
| Literature Reference DOI | 10.3390/md10061203 |
| Molecular Weight | 380.525 g/mol |
| Source File Reference | UWIR5826 |