| SpectraBase Compound ID | Cic12KEkh9i |
|---|---|
| InChI | InChI=1S/C28H40O9/c1-17-13-20(11-12-35-16-19-5-7-21(33-3)8-6-19)27(32)28(34-4)23(30)15-26(31)36-18(2)14-25-24(37-25)10-9-22(17)29/h5-10,17-18,20,23-25,27-28,30,32H,11-16H2,1-4H3/b10-9+/t17-,18-,20+,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | MDAPCFJZCZEHPV-CJMYETEISA-N |
| Mol Weight | 520.6 g/mol |
| Molecular Formula | C28H40O9 |
| Exact Mass | 520.267233 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9Ouc2vfyXHV |
|---|---|
| Name | 6"-Dihydro-12S,13R-epoxy-6"-O-(4-methoxybenzyl)niddanolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O9 |
| InChI | InChI=1S/C28H40O9/c1-17-13-20(11-12-35-16-19-5-7-21(33-3)8-6-19)27(32)28(34-4)23(30)15-26(31)36-18(2)14-25-24(37-25)10-9-22(17)29/h5-10,17-18,20,23-25,27-28,30,32H,11-16H2,1-4H3/b10-9+/t17-,18-,20+,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | MDAPCFJZCZEHPV-CJMYETEISA-N |
| Molecular Weight | 520.619 g/mol |
| SMILES | O[C@@]1([C@]([C@@](CC(O[C@@](C[C@@]2(O[C@]2(\C=C\C([C@@](C[C@@]1(CCOCc1ccc(cc1)OC)[H])(C)[H])=O)[H])[H])(C)[H])=O)(O)[H])(OC)[H])[H] |
| SPLASH | splash10-0fk9-0900000000-6074c73b5674d682030a |
| Source of Spectrum | E1-39-2827-23 |
| Wiley ID | 1519192 |