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(+)-(4aS,8R,8aR)-8-Hydroxy-1,4a,8a-trimethyl-4,4a,6,7,8,8a,9,10-octahydrophenanthren-2(3H)-one
SpectraBase Compound ID G0HFJgzejcl
InChI InChI=1S/C17H24O2/c1-11-12-7-9-17(3)14(5-4-6-15(17)19)16(12,2)10-8-13(11)18/h5,15,19H,4,6-10H2,1-3H3/t15-,16+,17-/m1/s1
InChIKey KKAPZVKSABZOMX-IXDOHACOSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BBFolFJdNC
Name (+)-(4aS,8R,8aR)-8-Hydroxy-1,4a,8a-trimethyl-4,4a,6,7,8,8a,9,10-octahydrophenanthren-2(3H)-one
Appearance Crystalline solid
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Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-11-12-7-9-17(3)14(5-4-6-15(17)19)16(12,2)10-8-13(11)18/h5,15,19H,4,6-10H2,1-3H3/t15-,16+,17-/m1/s1
InChIKey KKAPZVKSABZOMX-IXDOHACOSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 260.377 g/mol
Optical Rotation [a]D27 = +50o (c = 2.0, CHCl3)
Reported Formula C17H24O2
SMILES O[C@@]1(CCC=C2[C@]3(CCC(C(=C3CC[C@@]12C)C)=O)C)[H]
SPLASH splash10-0h01-0190000000-35ceafe4dc6f3a357ee0
Source of Spectrum AF-54-SM12-(+)-108
Wiley ID 1848733