| SpectraBase Compound ID | IaNpC7vcBrK |
|---|---|
| InChI | InChI=1S/C27H30O11/c1-12(28)35-19-20(30)38-21(2)7-8-25(32)23(4,26(19,21)33)17-16(37-25)18(29)22(3)14(13-6-9-34-11-13)10-15-27(22,36-15)24(17,5)31/h6-9,11,14-17,19,31-33H,10H2,1-5H3/t14-,15+,16-,17+,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | GRNZBGWUEOICKI-ABIJRLSZSA-N |
| Mol Weight | 530.53 g/mol |
| Molecular Formula | C27H30O11 |
| Exact Mass | 530.178812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | qCQWzJHV8D |
|---|---|
| Name | TOONACILIATIN_I |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O11 |
| InChI | InChI=1S/C27H30O11/c1-12(28)35-19-20(30)38-21(2)7-8-25(32)23(4,26(19,21)33)17-16(37-25)18(29)22(3)14(13-6-9-34-11-13)10-15-27(22,36-15)24(17,5)31/h6-9,11,14-17,19,31-33H,10H2,1-5H3/t14-,15+,16-,17+,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | GRNZBGWUEOICKI-ABIJRLSZSA-N |
| Literature Reference Author | H.D.CHEN,S.P.YANG,Y.WU,L.DONG,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,72,685(2009) |
| Literature Reference DOI | 10.1021/np800811b |
| Molecular Weight | 530.529 g/mol |
| Sample ID | 32436 |
| Solvent | C5D5N |