| SpectraBase Compound ID | p8Dc0H2PEC |
|---|---|
| InChI | InChI=1S/C25H34O7/c1-14(2)25(28)10-9-23(4)13-20-24(5,32-20)12-19(21(23)25)31-22(27)16-7-8-17(30-15(3)26)18(11-16)29-6/h7-8,11,14,19-21,28H,9-10,12-13H2,1-6H3/t19-,20-,21+,23+,24+,25+/m0/s1 |
| InChIKey | CURSVVHFJAUJHN-NKWXPJCESA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C25H34O7 |
| Exact Mass | 446.230453 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8nofhthiAcV |
|---|---|
| Name | 2,3-Epoxy-jaeschkeanadiol - 5.alpha.-Acetylvanillate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O7 |
| InChI | InChI=1S/C25H34O7/c1-14(2)25(28)10-9-23(4)13-20-24(5,32-20)12-19(21(23)25)31-22(27)16-7-8-17(30-15(3)26)18(11-16)29-6/h7-8,11,14,19-21,28H,9-10,12-13H2,1-6H3/t19-,20-,21+,23+,24+,25+/m0/s1 |
| InChIKey | CURSVVHFJAUJHN-NKWXPJCESA-N |
| Molecular Weight | 446.540 g/mol |
| SMILES | O[C@@]1([C@@]2([C@](C[C@]3(O[C@]3(C[C@]2(CC1)C)[H])C)(OC(c1cc(OC)c(cc1)OC(=O)C)=O)[H])[H])C(C)C |
| SPLASH | splash10-0uxr-0900000000-38ea6e55068c03859ba1 |
| Source of Spectrum | X2-51-773-2 |
| Wiley ID | 1602802 |