| SpectraBase Compound ID | Jfi4NfvSjrj |
|---|---|
| InChI | InChI=1S/C24H30O8/c1-26-16-7-12(8-17(27-2)22(16)29-4)19-14-10-32-11-15(14)21(25)13-9-18(28-3)23(30-5)24(31-6)20(13)19/h7-9,14-15,19,21,25H,10-11H2,1-6H3/t14-,15-,19+,21+/m1/s1 |
| InChIKey | LFNWRGIHYDICIR-PIPIOBNBSA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C24H30O8 |
| Exact Mass | 446.194068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeU380TrjDQ |
|---|---|
| Name | Deacetyl-aglacin A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.194067918 u |
| Formula | C24H30O8 |
| InChI | InChI=1S/C24H30O8/c1-26-16-7-12(8-17(27-2)22(16)29-4)19-14-10-32-11-15(14)21(25)13-9-18(28-3)23(30-5)24(31-6)20(13)19/h7-9,14-15,19,21,25H,10-11H2,1-6H3/t14-,15-,19+,21+/m1/s1 |
| InChIKey | LFNWRGIHYDICIR-PIPIOBNBSA-N |
| Molecular Weight | 446.496 g/mol |
| SMILES | C=12[C@]([C@@]3(COC[C@]3([C@](C2=CC(=C(C1OC)OC)OC)(O)[H])[H])[H])(C1=CC(OC)=C(C(=C1)OC)OC)[H] |