| SpectraBase Compound ID | 4iroOwclwyD |
|---|---|
| InChI | InChI=1S/C23H32O3/c1-14(2)16-9-17-18(10-20(16)26-13-15-12-25-15)23(5)8-6-7-22(3,4)21(23)11-19(17)24/h9-10,14-15,21H,6-8,11-13H2,1-5H3/t15?,21-,23+/m0/s1 |
| InChIKey | PYNHDTKVKKWLAJ-LBRSZHJBSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C23H32O3 |
| Exact Mass | 356.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gl6ZU7w74T3 |
|---|---|
| Name | (4aS,10aS)-7-Isopropyl-1,1,4a-trimethyl-6-oxiranylmethoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O3 |
| InChI | InChI=1S/C23H32O3/c1-14(2)16-9-17-18(10-20(16)26-13-15-12-25-15)23(5)8-6-7-22(3,4)21(23)11-19(17)24/h9-10,14-15,21H,6-8,11-13H2,1-5H3/t15?,21-,23+/m0/s1 |
| InChIKey | PYNHDTKVKKWLAJ-LBRSZHJBSA-N |
| Molecular Weight | 356.506 g/mol |
| SMILES | c12[C@@]3([C@@](C(C)(C)CCC3)([H])CC(c1cc(c(c2)OCC1OC1)C(C)C)=O)C |
| SPLASH | splash10-0a4l-0039000000-953536bb6cf36ad6adfc |
| Source of Spectrum | EMC-41-1329-3 |
| Synonyms | 1-(4-Chloro-2-aminophenyl)-1,2,3,4-tetrahydroisoquinoline (4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-6-(oxiran-2-ylmethoxy)-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-1,1,4a-trimethyl-6-(2-oxiranylmethoxy)-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-6-(oxiran-2-ylmethoxy)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-1,1,4a-trimethyl-6-(oxiran-2-ylmethoxy)-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| Wiley ID | 1735042 |