![6-(1,3-Dithian-2-ylidenemethyl)-3a,6-dimethyl-7-(2-oxopropyl)dodecahydro-1H-cyclopenta[a]naphthalen-3-yl acetate](/api/spectrum/88xHuq0de7V/structure.png?h=300&w=458 "6-(1,3-Dithian-2-ylidenemethyl)-3a,6-dimethyl-7-(2-oxopropyl)dodecahydro-1H-cyclopenta[a]naphthalen-3-yl acetate")
| SpectraBase Compound ID | 1MyUo8LGYug |
|---|---|
| InChI | InChI=1S/C25H38O3S2/c1-16(26)14-18-6-7-19-20-8-9-22(28-17(2)27)24(20,3)11-10-21(19)25(18,4)15-23-29-12-5-13-30-23/h15,18-22H,5-14H2,1-4H3 |
| InChIKey | IRQSZQRCQVGXGM-UHFFFAOYSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C25H38O3S2 |
| Exact Mass | 450.226237 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 88xHuq0de7V |
|---|---|
| Name | 6-(1,3-Dithian-2-ylidenemethyl)-3a,6-dimethyl-7-(2-oxopropyl)dodecahydro-1H-cyclopenta[a]naphthalen-3-yl acetate |
| Alternate Name(s) | Acetic acid, 6-[1,3]dithian-2-ylidenemethyl-3a,6-dimethyl-7-(2-oxopropyl)-dodecahydrocyclopenta[a]naphthalen-3-yl ester Acetic acid [6-(1,3-dithian-2-ylidenemethyl)-3a,6-dimethyl-7-(2-oxopropyl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl] ester [6-(1,3-dithian-2-ylidenemethyl)-3a,6-dimethyl-7-(2-oxopropyl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl] acetate [7-acetonyl-6-(1,3-dithian-2-ylidenemethyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl] acetate [6-(1,3-dithian-2-ylidenemethyl)-3a,6-dimethyl-7-(2-oxidanylidenepropyl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O3S2 |
| InChI | InChI=1S/C25H38O3S2/c1-16(26)14-18-6-7-19-20-8-9-22(28-17(2)27)24(20,3)11-10-21(19)25(18,4)15-23-29-12-5-13-30-23/h15,18-22H,5-14H2,1-4H3 |
| InChIKey | IRQSZQRCQVGXGM-UHFFFAOYSA-N |
| Molecular Weight | 450.696 g/mol |
| SMILES | CC(=O)CC1CCC2C(CCC3(C2CCC3OC(=O)C)C)C1(C=C1SCCCS1)C |
| SPLASH | splash10-052f-8932100000-6afb98956b08533c3f17 |
| Wiley ID | 1488178 |