| SpectraBase Compound ID | 6LlaAakPHBV |
|---|---|
| InChI | InChI=1S/C21H22O12/c22-5-11-14(25)15(26)16(27)18(31-11)13-9(23)2-1-7-8-3-12(24)21(30)6-20(8,33-17(7)13)4-10(32-21)19(28)29/h1-3,10-11,14-16,18,22-23,25-27,30H,4-6H2,(H,28,29)/t10-,11-,14-,15+,16-,18+,20-,21-/m0/s1 |
| InChIKey | KVCDMLSZBATQNF-AVWYCOAASA-N |
| Mol Weight | 466.4 g/mol |
| Molecular Formula | C21H22O12 |
| Exact Mass | 466.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPD38CiOd3h |
|---|---|
| Name | PIYALINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O12 |
| InChI | InChI=1S/C21H22O12/c22-5-11-14(25)15(26)16(27)18(31-11)13-9(23)2-1-7-8-3-12(24)21(30)6-20(8,33-17(7)13)4-10(32-21)19(28)29/h1-3,10-11,14-16,18,22-23,25-27,30H,4-6H2,(H,28,29)/t10-,11-,14-,15+,16-,18+,20-,21-/m0/s1 |
| InChIKey | KVCDMLSZBATQNF-AVWYCOAASA-N |
| Literature Reference Author | B.ACHARI,P.K.DUTTA,S.K.RAY,P.CHAKRABORTY,J.SENGUPTA,D.BANDYO PADHYAY,J.K.MAITY,I. |
| Literature Reference Citation | J.NAT.PROD.,75,655(2012) |
| Literature Reference DOI | 10.1021/np2008939 |
| Molecular Weight | 466.398 g/mol |
| Sample ID | 40263 |
| Solvent | D2O |