| SpectraBase Compound ID | BRHEoHrCHsP |
|---|---|
| InChI | InChI=1S/C26H42O7/c1-8-9-21(29)33-25(6)11-10-18(28)15(4)12-19-23-22(24(25)32-19)17(14(2)3)13-20(26(23,7)30)31-16(5)27/h14,17-20,22-24,28,30H,4,8-13H2,1-3,5-7H3/t17-,18+,19-,20-,22-,23-,24-,25-,26-/m1/s1 |
| InChIKey | JLYZUSXSQZJAFC-HGKGUBSVSA-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 | Lr9UJpg8N44 |
|---|---|
| Name | SIMPLEXIN-P |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42O7 |
| InChI | InChI=1S/C26H42O7/c1-8-9-21(29)33-25(6)11-10-18(28)15(4)12-19-23-22(24(25)32-19)17(14(2)3)13-20(26(23,7)30)31-16(5)27/h14,17-20,22-24,28,30H,4,8-13H2,1-3,5-7H3/t17-,18+,19-,20-,22-,23-,24-,25-,26-/m1/s1 |
| InChIKey | JLYZUSXSQZJAFC-HGKGUBSVSA-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 | UWIR5823 |