| SpectraBase Compound ID | Gt4B8z7T3rN |
|---|---|
| InChI | InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/p-1/b15-10+/t9-,11-,12+,13-,14+/m0/s1 |
| InChIKey | ZAKICGFSIJSCSF-SUYBVFMFSA-M |
| Mol Weight | 448.54 g/mol |
| Molecular Formula | C14H26NO9S3 |
| Exact Mass | 448.07697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LS5ZK5lHAir |
|---|---|
| Name | GLUCOLESQUERELLIN;6-METHYLSULFANYLHEXYLGLUCOSINATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H26NO9S3 |
| InChI | InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-13(19)12(18)11(17)9(8-16)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/p-1/b15-10+/t9-,11-,12+,13-,14+/m0/s1 |
| InChIKey | ZAKICGFSIJSCSF-SUYBVFMFSA-M |
| Literature Reference Author | S.MONTAUT,J.GRANDBOIS,L.RIGHETTI,J.BARILLARI,R.IORI,P.ROLLIN |
| Literature Reference Citation | J.NAT.PROD.,72,889(2009) |
| Literature Reference DOI | 10.1021/np800738w |
| Molecular Weight | 448.542 g/mol |
| Sample ID | 32568 |
| Solvent | D2O |