| SpectraBase Compound ID | IGP1GGnBOap |
|---|---|
| InChI | InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1 |
| InChIKey | ARFRZOLTIRQFCI-PCFRYOIQSA-N |
| Mol Weight | 448.42 g/mol |
| Molecular Formula | C19H28O12 |
| Exact Mass | 448.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69KcanduFDc |
|---|---|
| Name | BARLERIN;8-O-ACETYLSHANZISIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H28O12 |
| InChI | InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1 |
| InChIKey | ARFRZOLTIRQFCI-PCFRYOIQSA-N |
| Literature Reference Author | S.R.JENSEN,I.CALIS,C.H.GOTFREDSEN,I.SOTOFTE |
| Literature Reference Citation | J.NAT.PROD.,70,29(2007) |
| Literature Reference DOI | 10.1021/np060452a |
| Molecular Weight | 448.424 g/mol |
| Sample ID | 29605 |
| Solvent | CD3OD |