| SpectraBase Compound ID | BhjGeSmsoqv |
|---|---|
| InChI | InChI=1S/C21H30O6/c1-13-16(23)10-21-12-27-19(25)15(21)5-4-6-17(21)20(13,2)8-7-14(11-22)9-18(24)26-3/h5,13-14,17,22H,4,6-12H2,1-3H3/t13-,14?,17-,20+,21-/m1/s1 |
| InChIKey | LOJULOSPWTXYPL-ZOXDONLSSA-N |
| Mol Weight | 378.47 g/mol |
| Molecular Formula | C21H30O6 |
| Exact Mass | 378.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8TXUbwGUiLa |
|---|---|
| Name | Methyl 7-oxo-16-hydroxy-(ent)-clerod-3-en-15-oate-18,19-Olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O6 |
| InChI | InChI=1S/C21H30O6/c1-13-16(23)10-21-12-27-19(25)15(21)5-4-6-17(21)20(13,2)8-7-14(11-22)9-18(24)26-3/h5,13-14,17,22H,4,6-12H2,1-3H3/t13-,14?,17-,20+,21-/m1/s1 |
| InChIKey | LOJULOSPWTXYPL-ZOXDONLSSA-N |
| Molecular Weight | 378.465 g/mol |
| SMILES | OCC(CC(=O)OC)CC[C@@]1([C@@]2([C@]3(C(C(=O)OC3)=CCC2)CC([C@]1(C)[H])=O)[H])C |
| SPLASH | splash10-0f79-1953000000-d7d685771eedaaf0f134 |
| Source of Spectrum | G4-69-276-3 |
| Synonyms | 5-[(6aR,7R,8S,10aS)-7,8-dimethyl-3,9-dioxo-1,5,6,6a,8,10-hexahydrobenzo[d]isobenzofuran-7-yl]-3-(hydroxymethyl)pentanoic acid methyl ester Methyl 5-[(6aR,7R,8S,10aS)-7,8-dimethyl-3,9-dioxo-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-7-yl]-3-(hydroxymethyl)pentanoate Methyl 5-[(6aR,7R,8S,10aS)-7,8-dimethyl-3,9-dioxo-1,5,6,6a,8,10-hexahydrobenzo[d]isobenzofuran-7-yl]-3-(hydroxymethyl)pentanoate Methyl 5-[(6aR,7R,8S,10aS)-7,8-dimethyl-3,9-bis(oxidanylidene)-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-7-yl]-3-(hydroxymethyl)pentanoate |
| Wiley ID | 1694293 |