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(4aS,9R,10aR)-1,1,4a-trimethyl-9-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
SpectraBase Compound ID AzBTOHHmq3A
InChI InChI=1S/C20H28O2/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(3,4)18(22)8-9-20(15,17)5/h6-7,10,12,16-17,21H,8-9,11H2,1-5H3/t16-,17+,20-/m1/s1
InChIKey YHADTDKGWJAAEL-FUHIMQAGSA-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 4zrro2HoLA
Name (4aS,9R,10aR)-1,1,4a-trimethyl-9-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Alternate Name(s) (4aS,9R,10aR)-9-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one (4aS,9R,10aR)-9-hydroxy-7-isopropyl-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
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Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(3,4)18(22)8-9-20(15,17)5/h6-7,10,12,16-17,21H,8-9,11H2,1-5H3/t16-,17+,20-/m1/s1
InChIKey YHADTDKGWJAAEL-FUHIMQAGSA-N
Molecular Weight 300.442 g/mol
SMILES O[C@]1(c2c([C@@]3([C@](C(C)(C)C(CC3)=O)(C1)[H])C)ccc(C(C)C)c2)[H]
SPLASH splash10-0w4i-0975000000-079fe62e941012227d9d
Source of Spectrum OP-25-220-6
Wiley ID 850523