| SpectraBase Compound ID | 1otEhnFx8g5 |
|---|---|
| InChI | InChI=1S/C20H28O12/c1-3-28-18(27)10-7-30-19(13-9(6-29-8(2)22)4-11(23)14(10)13)32-20-17(26)16(25)15(24)12(5-21)31-20/h4,7,11-17,19-21,23-26H,3,5-6H2,1-2H3/t11-,12-,13?,14?,15-,16+,17-,19-,20+/m0/s1 |
| InChIKey | CWBXOWNEYBLJQQ-OWABGTSGSA-N |
| Mol Weight | 460.43 g/mol |
| Molecular Formula | C20H28O12 |
| Exact Mass | 460.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dq0rous45t |
|---|---|
| Name | ASPERULOSIDIC-ACID-ETHYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O12 |
| InChI | InChI=1S/C20H28O12/c1-3-28-18(27)10-7-30-19(13-9(6-29-8(2)22)4-11(23)14(10)13)32-20-17(26)16(25)15(24)12(5-21)31-20/h4,7,11-17,19-21,23-26H,3,5-6H2,1-2H3/t11-,12-,13?,14?,15-,16+,17-,19-,20+/m0/s1 |
| InChIKey | CWBXOWNEYBLJQQ-OWABGTSGSA-N |
| Literature Reference Author | J.N.PENG,X.Z.FENG,X.T.LIANG |
| Literature Reference Citation | J.NAT.PROD.,62,611(1999) |
| Literature Reference DOI | 10.1021/np980238p |
| Molecular Weight | 460.435 g/mol |
| Solvent | D2O |
| Source File Reference | UWGE1035 |