| SpectraBase Compound ID | GjSYk9l3r8f |
|---|---|
| InChI | InChI=1S/C26H42O9/c1-13(2)20-17(30)11-26(8,35-16(5)29)22-18-12-24(6,31)19(32-14(3)27)9-10-25(7,34-15(4)28)23(33-18)21(20)22/h13,17-23,30-31H,9-12H2,1-8H3/t17-,18-,19+,20+,21-,22-,23-,24+,25-,26-/m1/s1 |
| InChIKey | CMFFEVGUTXFGMQ-LXISNSFKSA-N |
| Mol Weight | 498.6 g/mol |
| Molecular Formula | C26H42O9 |
| Exact Mass | 498.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBfeVMLg1WZ |
|---|---|
| Name | SIMPLEXIN_I |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42O9 |
| InChI | InChI=1S/C26H42O9/c1-13(2)20-17(30)11-26(8,35-16(5)29)22-18-12-24(6,31)19(32-14(3)27)9-10-25(7,34-15(4)28)23(33-18)21(20)22/h13,17-23,30-31H,9-12H2,1-8H3/t17-,18-,19+,20+,21-,22-,23-,24+,25-,26-/m1/s1 |
| InChIKey | CMFFEVGUTXFGMQ-LXISNSFKSA-N |
| Literature Reference Author | S.L.WU,J.H.SU,Z.H.WEN,C.H.HSU,B.W.CHEN,C.F.DAI,Y.H.KUO,J.H.S HEU |
| Literature Reference Citation | J.NAT.PROD.,72,994(2009) |
| Literature Reference DOI | 10.1021/np900064a |
| Molecular Weight | 498.614 g/mol |
| Sample ID | 32673 |
| Solvent | CDCl3 |