| SpectraBase Compound ID | JSA8JzJJENg |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-12(2)19-15-8-6-14(4)18(24-23)9-7-13(3)16(21)10-20(15,5)11-17(19)22/h12,18,23H,3-4,6-11H2,1-2,5H3/t18-,20-/m0/s1 |
| InChIKey | LYXNFJWTTHPWSB-ICSRJNTNSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 12W4ficeMim |
|---|---|
| Name | 7-(Hydroperoxy)-dollabela-4(16),8(17),11(12)-triene-3,13-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-12(2)19-15-8-6-14(4)18(24-23)9-7-13(3)16(21)10-20(15,5)11-17(19)22/h12,18,23H,3-4,6-11H2,1-2,5H3/t18-,20-/m0/s1 |
| InChIKey | LYXNFJWTTHPWSB-ICSRJNTNSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | OO[C@@]1(C(CCC=2[C@](CC(=O)C2C(C)C)(CC(C(CC1)=C)=O)C)=C)[H] |
| SPLASH | splash10-0a4l-9610000000-f91e8b8abf4ce706be8b |
| Source of Spectrum | G4-64-1031-6 |
| Synonyms | (3aS,9S)-9-hydroperoxy-3a-methyl-6,10-dimethylene-1-propan-2-yl-4,7,8,9,11,12-hexahydro-3H-cyclopenta[11]annulene-2,5-dione (3aS,9S)-9-hydroperoxy-3a-methyl-6,10-dimethylidene-1-propan-2-yl-4,7,8,9,11,12-hexahydro-3H-cyclopenta[11]annulene-2,5-dione (3aS,9S)-9-hydroperoxy-1-isopropyl-3a-methyl-6,10-dimethylene-4,7,8,9,11,12-hexahydro-3H-cyclopenta[11]annulene-2,5-dione (3aS,9S)-9-(dioxidanyl)-3a-methyl-6,10-dimethylidene-1-propan-2-yl-4,7,8,9,11,12-hexahydro-3H-cyclopenta[11]annulene-2,5-dione |
| Wiley ID | 1609138 |