| SpectraBase Compound ID | GvQfE2TM3Ry |
|---|---|
| InChI | InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/p-1/b14-9+/t8-,10-,11+,12-,13+/m0/s1 |
| InChIKey | MEFPHTVXBPLRLX-FSYRSHHBSA-M |
| Mol Weight | 434.51 g/mol |
| Molecular Formula | C13H24NO9S3 |
| Exact Mass | 434.06132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EizzuW8lOPY |
|---|---|
| Name | GLUCOBERTEROIN;5-METHYLSULFANYLPENTYLGLUCOSINATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H24NO9S3 |
| InChI | InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/p-1/b14-9+/t8-,10-,11+,12-,13+/m0/s1 |
| InChIKey | MEFPHTVXBPLRLX-FSYRSHHBSA-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 | 434.515 g/mol |
| Sample ID | 32571 |
| Solvent | D2O |