| SpectraBase Compound ID | 7xx2wLAqpc7 |
|---|---|
| InChI | InChI=1S/C23H36O7/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/h6-8,10,15-17,19,21-22,24H,9,11-14H2,1-5H3/b7-6+,10-8+/t15-,16-,17+,19-,21+,22+/m1/s1 |
| InChIKey | YJDULIBGTRJOKS-SHVDPXRQSA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C23H36O7 |
| Exact Mass | 424.246103 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 54ka03acIlu |
|---|---|
| Name | (6"-Dihydro-3,5-O-isopropylidene)niddanolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O7 |
| InChI | InChI=1S/C23H36O7/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/h6-8,10,15-17,19,21-22,24H,9,11-14H2,1-5H3/b7-6+,10-8+/t15-,16-,17+,19-,21+,22+/m1/s1 |
| InChIKey | YJDULIBGTRJOKS-SHVDPXRQSA-N |
| Molecular Weight | 424.534 g/mol |
| SMILES | OCC[C@@]1([C@]2([C@]([C@](OC(O2)(C)C)(CC(O[C@@](C\C=C\C=C\C([C@@](C1)(C)[H])=O)(C)[H])=O)[H])(OC)[H])[H])[H] |
| SPLASH | splash10-0ul0-0930000000-cc942dc453eec6070752 |
| Source of Spectrum | E1-39-72-31 |
| Wiley ID | 1518626 |