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(4aS,10aS)-1,1,4a-trimethyl-7-oxidanyl-8-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one
SpectraBase Compound ID 1SmqbCP4bG
InChI InChI=1S/C20H28O2/c1-12(2)18-13-6-9-16-19(3,4)11-10-17(22)20(16,5)14(13)7-8-15(18)21/h7-8,12,16,21H,6,9-11H2,1-5H3/t16-,20+/m0/s1
InChIKey IXZFDFKYQIICMK-OXJNMPFZSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DCAuhNC96d
Name (4aS,10aS)-1,1,4a-trimethyl-7-oxidanyl-8-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one
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Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-12(2)18-13-6-9-16-19(3,4)11-10-17(22)20(16,5)14(13)7-8-15(18)21/h7-8,12,16,21H,6,9-11H2,1-5H3/t16-,20+/m0/s1
InChIKey IXZFDFKYQIICMK-OXJNMPFZSA-N
Molecular Weight 300.442 g/mol
SMILES Oc1ccc2[C@@]3([C@](C(C)(C)CCC3=O)(CCc2c1C(C)C)[H])C
SPLASH splash10-0uxr-0296000000-ee549304332906476ba5
Source of Spectrum Va-0-0-0
Synonyms (4aS,10aS)-7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one (4aS,10aS)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one
Wiley ID 742692