| SpectraBase Compound ID | Kqrbu2GfFm5 |
|---|---|
| InChI | InChI=1S/C23H34O7/c1-15-13-17(11-12-24)21-22(27-5)19(29-23(3,4)30-21)14-20(26)28-16(2)9-7-6-8-10-18(15)25/h6-8,10,12,15-17,19,21-22H,9,11,13-14H2,1-5H3/b7-6+,10-8+/t15-,16-,17+,19-,21+,22+/m1/s1 |
| InChIKey | LJJZLGBTLBCONL-SHVDPXRQSA-N |
| Mol Weight | 422.5 g/mol |
| Molecular Formula | C23H34O7 |
| Exact Mass | 422.230453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LMQYXitJbVB |
|---|---|
| Name | (3,5-o-Isopropylidene)niddanolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.230453428 u |
| Formula | C23H34O7 |
| InChI | InChI=1S/C23H34O7/c1-15-13-17(11-12-24)21-22(27-5)19(29-23(3,4)30-21)14-20(26)28-16(2)9-7-6-8-10-18(15)25/h6-8,10,12,15-17,19,21-22H,9,11,13-14H2,1-5H3/b7-6+,10-8+/t15-,16-,17+,19-,21+,22+/m1/s1 |
| InChIKey | LJJZLGBTLBCONL-SHVDPXRQSA-N |
| Molecular Weight | 422.518 g/mol |
| SMILES | [C@]12([C@@]([C@]([C@](C[C@](C(\C=C\C=C\C[C@](OC(C2)=O)(C)[H])=O)(C)[H])(CC=O)[H])(OC(O1)(C)C)[H])(OC)[H])[H] |