| SpectraBase Compound ID | 9dM6g9cVQFj |
|---|---|
| InChI | InChI=1S/C31H44O9/c1-19-15-22(13-14-36-18-21-7-9-23(34-5)10-8-21)29-30(35-6)27(39-31(3,4)40-29)17-28(33)37-20(2)16-26-25(38-26)12-11-24(19)32/h7-12,19-20,22,25-27,29-30H,13-18H2,1-6H3/b12-11+/t19-,20-,22+,25+,26+,27-,29+,30+/m1/s1 |
| InChIKey | ATUDVXQIYBAPLW-RWVRTXIWSA-N |
| Mol Weight | 560.7 g/mol |
| Molecular Formula | C31H44O9 |
| Exact Mass | 560.298533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1pFqTcOOLti |
|---|---|
| Name | 6"-Dihydro-12S,13R-epoxy-3,5-isopropylidene-6"-O-(4-methoxybenzyl)niddanolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H44O9 |
| InChI | InChI=1S/C31H44O9/c1-19-15-22(13-14-36-18-21-7-9-23(34-5)10-8-21)29-30(35-6)27(39-31(3,4)40-29)17-28(33)37-20(2)16-26-25(38-26)12-11-24(19)32/h7-12,19-20,22,25-27,29-30H,13-18H2,1-6H3/b12-11+/t19-,20-,22+,25+,26+,27-,29+,30+/m1/s1 |
| InChIKey | ATUDVXQIYBAPLW-RWVRTXIWSA-N |
| Molecular Weight | 560.684 g/mol |
| SMILES | [C@]12(O[C@]1(\C=C\C([C@@](C[C@@]([C@]1([C@]([C@@](CC(O[C@@](C2)(C)[H])=O)(OC(O1)(C)C)[H])(OC)[H])[H])(CCOCc1ccc(cc1)OC)[H])(C)[H])=O)[H])[H] |
| SPLASH | splash10-00di-0900000000-8e65dc2492e302e290fc |
| Source of Spectrum | E1-39-2827-23 |
| Wiley ID | 1519191 |