| SpectraBase Compound ID | Ky9bhKAxQlp |
|---|---|
| InChI | InChI=1S/C20H16O7/c1-11(21)26-14-5-6-15-18(9-14)25-10-16(20(15)23)13-4-7-17(24-3)19(8-13)27-12(2)22/h4-10H,1-3H3 |
| InChIKey | BSROEDRNGUUGNQ-UHFFFAOYSA-N |
| Mol Weight | 368.34 g/mol |
| Molecular Formula | C20H16O7 |
| Exact Mass | 368.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EiNTFJy6RFd |
|---|---|
| Name | Calycosin diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.089602848 u |
| Formula | C20H16O7 |
| InChI | InChI=1S/C20H16O7/c1-11(21)26-14-5-6-15-18(9-14)25-10-16(20(15)23)13-4-7-17(24-3)19(8-13)27-12(2)22/h4-10H,1-3H3 |
| InChIKey | BSROEDRNGUUGNQ-UHFFFAOYSA-N |
| Molecular Weight | 368.341 g/mol |
| SMILES | C1(C=2C(=O)C3=CC=C(OC(C)=O)C=C3OC2)=CC(=C(C=C1)OC)OC(C)=O |