| SpectraBase Compound ID | HKNCfb4SnGx |
|---|---|
| InChI | InChI=1S/C26H42O6/c1-8-9-21(29)32-26(7)13-11-19(28)16(4)14-20-23-22(24(26)30-20)18(15(2)3)10-12-25(23,6)31-17(5)27/h15,18-20,22-24,28H,4,8-14H2,1-3,5-7H3/t18-,19+,20-,22-,23-,24-,25-,26-/m1/s1 |
| InChIKey | UKQZTSVTMXZKLS-VLVNKJQTSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C26H42O6 |
| Exact Mass | 450.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5imtEnqLHtT |
|---|---|
| Name | SIMPLEXIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42O6 |
| InChI | InChI=1S/C26H42O6/c1-8-9-21(29)32-26(7)13-11-19(28)16(4)14-20-23-22(24(26)30-20)18(15(2)3)10-12-25(23,6)31-17(5)27/h15,18-20,22-24,28H,4,8-14H2,1-3,5-7H3/t18-,19+,20-,22-,23-,24-,25-,26-/m1/s1 |
| InChIKey | UKQZTSVTMXZKLS-VLVNKJQTSA-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 | 450.616 g/mol |
| Sample ID | 32665 |
| Solvent | CDCl3 |