| SpectraBase Compound ID | FVsL0Btr5Vp |
|---|---|
| InChI | InChI=1S/C26H36O8/c1-15-7-8-22-25(5,11-9-23(34-18(4)29)26(22,6)14-32-16(2)27)20(15)13-21(33-17(3)28)19-10-12-31-24(19)30/h10,20-23H,1,7-9,11-14H2,2-6H3/t20-,21?,22+,23-,25+,26+/m1/s1 |
| InChIKey | PUIQSQQJZQROJF-UUPATYTRSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C26H36O8 |
| Exact Mass | 476.241018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5G5hMdSJbmt |
|---|---|
| Name | 14-Deoxy-12-hydroxyandrographolide, 3ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.241018111 u |
| Formula | C26H36O8 |
| InChI | InChI=1S/C26H36O8/c1-15-7-8-22-25(5,11-9-23(34-18(4)29)26(22,6)14-32-16(2)27)20(15)13-21(33-17(3)28)19-10-12-31-24(19)30/h10,20-23H,1,7-9,11-14H2,2-6H3/t20-,21?,22+,23-,25+,26+/m1/s1 |
| InChIKey | PUIQSQQJZQROJF-UUPATYTRSA-N |
| Molecular Weight | 476.566 g/mol |
| SMILES | C1[C@]([C@@]([C@]2(CCC([C@@]([C@@]2(C1)C)([H])CC(C=1C(=O)OCC1)OC(=O)C)=C)[H])(C)COC(=O)C)(OC(=O)C)[H] |