| SpectraBase Compound ID | 1MNmSzzW5Zx |
|---|---|
| InChI | InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22?,24-,25-/m1/s1 |
| InChIKey | KPKHMGUZUPELJC-OEKAYNNHSA-N |
| Mol Weight | 538.46 g/mol |
| Molecular Formula | C27H22O12 |
| Exact Mass | 538.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ko9QttfUi9W |
|---|---|
| Name | SALVIANOLIC-ACID-J |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H22O12 |
| InChI | InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22?,24-,25-/m1/s1 |
| InChIKey | KPKHMGUZUPELJC-OEKAYNNHSA-N |
| Literature Reference Author | C.B.AI,Q.H.DENG,W.Z.SONG,L.N.LI |
| Literature Reference Citation | PHYTOCHEM.,37,907(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90382-0 |
| Molecular Weight | 538.464 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU23576 |