| SpectraBase Compound ID | 6Ofj1IHmL84 |
|---|---|
| InChI | InChI=1S/C23H34O8/c1-14-11-17-12-21(27-4)31-22(17)23(28-5)19(30-16(3)24)13-20(26)29-15(2)9-7-6-8-10-18(14)25/h6-8,10,14-15,17,19,21-23H,9,11-13H2,1-5H3/b7-6+,10-8+/t14-,15-,17-,19-,21?,22+,23+/m1/s1 |
| InChIKey | LVLLQCGGWDQVBI-MZXYCPPNSA-N |
| Mol Weight | 438.5 g/mol |
| Molecular Formula | C23H34O8 |
| Exact Mass | 438.225368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4jUbMJV0zZ |
|---|---|
| Name | Carbonolide B methoxy acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.225368047 u |
| Formula | C23H34O8 |
| InChI | InChI=1S/C23H34O8/c1-14-11-17-12-21(27-4)31-22(17)23(28-5)19(30-16(3)24)13-20(26)29-15(2)9-7-6-8-10-18(14)25/h6-8,10,14-15,17,19,21-23H,9,11-13H2,1-5H3/b7-6+,10-8+/t14-,15-,17-,19-,21?,22+,23+/m1/s1 |
| InChIKey | LVLLQCGGWDQVBI-MZXYCPPNSA-N |
| Molecular Weight | 438.517 g/mol |
| SMILES | [C@@]12([C@]([C@@](CC(O[C@@](C\C=C\C=C\C([C@@](C[C@@]2(CC(O1)OC)[H])(C)[H])=O)(C)[H])=O)(OC(=O)C)[H])(OC)[H])[H] |