| SpectraBase Compound ID | KQTYXfIaf4n |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-16(2)13-6-9-17(3)8-5-12(19)11-14(17)18(13,4)10-7-15(16)20/h5,8,11,13H,6-7,9-10H2,1-4H3/t13-,17+,18-/m1/s1 |
| InChIKey | CIUBMPPTKQAIKV-JEBQAFNWSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7l4k4ndclU7 |
|---|---|
| Name | (+)-(4aR,8aR,10aS)-1,1,4a,8a-Tetramethyl-4,4a,8a,9,10,10a-hexahydrophenanthrene-2,6(1H,3H)-dione(-)-(4aS,8aS,10aR)-1,1,4a,8a-Tetramethyl-4,4a,8a,9,10,10a-hexahydrophenanthrene-2,6(1H,3H)-dione |
| Appearance | Amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24O2 |
| InChI | InChI=1S/C18H24O2/c1-16(2)13-6-9-17(3)8-5-12(19)11-14(17)18(13,4)10-7-15(16)20/h5,8,11,13H,6-7,9-10H2,1-4H3/t13-,17+,18-/m1/s1 |
| InChIKey | CIUBMPPTKQAIKV-JEBQAFNWSA-N |
| Instrument Name | Micromass 70-VSE |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm101445p |
| Molecular Weight | 272.388 g/mol |
| Optical Rotation | [a]D26 = +68o (c = 0.36, CHCl3) |
| Reported Formula | C18H24O2 |
| SMILES | C1C(C([C@@]2([C@@](C1)(C=1[C@](CC2)(C=CC(C1)=O)C)C)[H])(C)C)=O |
| SPLASH | splash10-00di-1950000000-82696165274565a9faa3 |
| Source of Spectrum | AF-54-SM21-(+)-112 |
| Wiley ID | 1848737 |