| SpectraBase Compound ID | 6erUUs0nBJT |
|---|---|
| InChI | InChI=1S/C31H46O8/c1-21-18-24(16-17-36-20-23-12-14-25(34-5)15-13-23)29-30(35-6)27(38-31(3,4)39-29)19-28(33)37-22(2)10-8-7-9-11-26(21)32/h7-9,11-15,21-22,24,26-27,29-30,32H,10,16-20H2,1-6H3/b8-7+,11-9+/t21-,22-,24+,26+,27-,29+,30+/m1/s1 |
| InChIKey | DANOFQWSANWNCM-QXITYSBSSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C31H46O8 |
| Exact Mass | 546.319268 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EudJYQS0Esy |
|---|---|
| Name | 6"-Dihydro-3,5-isopropylidene-6"-O-(4-methoxybenzyl) Leuconolide A1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O8 |
| InChI | InChI=1S/C31H46O8/c1-21-18-24(16-17-36-20-23-12-14-25(34-5)15-13-23)29-30(35-6)27(38-31(3,4)39-29)19-28(33)37-22(2)10-8-7-9-11-26(21)32/h7-9,11-15,21-22,24,26-27,29-30,32H,10,16-20H2,1-6H3/b8-7+,11-9+/t21-,22-,24+,26+,27-,29+,30+/m1/s1 |
| InChIKey | DANOFQWSANWNCM-QXITYSBSSA-N |
| Molecular Weight | 546.701 g/mol |
| SMILES | O[C@@]1([C@@](C[C@@]([C@]2([C@]([C@](OC(O2)(C)C)(CC(O[C@@](C\C=C\C=C\1)(C)[H])=O)[H])(OC)[H])[H])(CCOCc1ccc(cc1)OC)[H])(C)[H])[H] |
| SPLASH | splash10-00di-0900040000-8bd08bc81b73b1dd0fd6 |
| Source of Spectrum | E1-39-2825-16 |
| Wiley ID | 1519205 |