| SpectraBase Compound ID | ENek71BUo3s |
|---|---|
| InChI | InChI=1S/C26H42O6/c1-16(2)9-8-14-26(7,20-12-10-18(5)11-13-20)32-25-23(29)24(22(28)19(6)30-25)31-21(27)15-17(3)4/h9-10,15,19-20,22-25,28-29H,8,11-14H2,1-7H3/t19-,20-,22+,23-,24+,25+,26+/m1/s1 |
| InChIKey | HEVSYGGJPULUNF-SVCOBJLLSA-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 | ACdXtkpJGO3 |
|---|---|
| Name | O-3'-SENECIOYL-ALPHA-BISABOLOL_BETA-D-FUCOPYRANOSIDE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42O6 |
| InChI | InChI=1S/C26H42O6/c1-16(2)9-8-14-26(7,20-12-10-18(5)11-13-20)32-25-23(29)24(22(28)19(6)30-25)31-21(27)15-17(3)4/h9-10,15,19-20,22-25,28-29H,8,11-14H2,1-7H3/t19-,20-,22+,23-,24+,25+,26+/m1/s1 |
| InChIKey | HEVSYGGJPULUNF-SVCOBJLLSA-N |
| Literature Reference Author | O.TAGLIALATELA-SCAFATI,F.POLLASTRO,L.CICIONE,G.CHIANESE,M.L. BELLIDO,E.MUNOZ,H.C. |
| Literature Reference Citation | J.NAT.PROD.,75,453(2012) |
| Literature Reference DOI | 10.1021/np2008973 |
| Molecular Weight | 450.616 g/mol |
| Sample ID | 40166 |
| Solvent | CDCl3 |