| SpectraBase Compound ID | B9bAAjUct3V |
|---|---|
| InChI | InChI=1S/C31H42O9/c1-6-27(33)39-26-18-28(34)38-21(3)10-8-7-9-11-25(32)20(2)16-23-17-29(40-30(23)31(26)36-5)37-19-22-12-14-24(35-4)15-13-22/h7-9,11-15,20-21,23,26,29-31H,6,10,16-19H2,1-5H3/b8-7+,11-9+/t20-,21-,23-,26-,29-,30+,31+/m1/s1 |
| InChIKey | YPZJLFULZQSINL-KNZIHPQGSA-N |
| Mol Weight | 558.7 g/mol |
| Molecular Formula | C31H42O9 |
| Exact Mass | 558.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ged77XIN6zt |
|---|---|
| Name | .beta.-Platenolide W1 4-methoxybenzylacetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 558.282882923 u |
| Formula | C31H42O9 |
| InChI | InChI=1S/C31H42O9/c1-6-27(33)39-26-18-28(34)38-21(3)10-8-7-9-11-25(32)20(2)16-23-17-29(40-30(23)31(26)36-5)37-19-22-12-14-24(35-4)15-13-22/h7-9,11-15,20-21,23,26,29-31H,6,10,16-19H2,1-5H3/b8-7+,11-9+/t20-,21-,23-,26-,29-,30+,31+/m1/s1 |
| InChIKey | YPZJLFULZQSINL-KNZIHPQGSA-N |
| Molecular Weight | 558.668 g/mol |
| SMILES | [C@@]12([C@]([C@@](CC(O[C@@](C\C=C\C=C\C([C@@](C[C@@]2(C[C@@](O1)(OCC1=CC=C(C=C1)OC)[H])[H])(C)[H])=O)(C)[H])=O)(OC(=O)CC)[H])(OC)[H])[H] |