| SpectraBase Compound ID | HeATHInTRvx |
|---|---|
| InChI | InChI=1S/C26H42O7/c1-8-9-20(30)33-25(6)11-10-17(28)15(4)12-19-23-22(24(25)31-19)21(14(2)3)18(29)13-26(23,7)32-16(5)27/h14,17-19,21-24,28-29H,4,8-13H2,1-3,5-7H3/t17-,18+,19+,21-,22+,23+,24+,25+,26+/m0/s1 |
| InChIKey | WMCSKYPKBWCVNE-XWJYJYPBSA-N |
| Mol Weight | 466.6 g/mol |
| Molecular Formula | C26H42O7 |
| Exact Mass | 466.293054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Q01NFKAkBY |
|---|---|
| Name | SIMPLEXIN-Q |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42O7 |
| InChI | InChI=1S/C26H42O7/c1-8-9-20(30)33-25(6)11-10-17(28)15(4)12-19-23-22(24(25)31-19)21(14(2)3)18(29)13-26(23,7)32-16(5)27/h14,17-19,21-24,28-29H,4,8-13H2,1-3,5-7H3/t17-,18+,19+,21-,22+,23+,24+,25+,26+/m0/s1 |
| InChIKey | WMCSKYPKBWCVNE-XWJYJYPBSA-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 | 466.615 g/mol |
| Source File Reference | UWIR5824 |