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(S)-3-Acetoxyamorpha-4,7(11)-dien-8-one
SpectraBase Compound ID 16jKaEI7s5Y
InChI InChI=1S/C17H24O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,10,13-14,16H,7-8H2,1-5H3/t10-,13+,14+,16+/m1/s1
InChIKey HIEJMYXUMUNVKS-NCFRWKGYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 671kxDuQhWH
Name (S)-3-Acetoxyamorpha-4,7(11)-dien-8-one
Alternate Name(s) (2S,4aR,8R,8aS)-3,8-dimethyl-6-oxo-5-(propan-2-ylidene)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl acetate
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Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,10,13-14,16H,7-8H2,1-5H3/t10-,13+,14+,16+/m1/s1
InChIKey HIEJMYXUMUNVKS-NCFRWKGYSA-N
Literature Reference DOI 10.1002_(SICI)1099-1026(199711_12)12_6_387
Molecular Weight 276.376 g/mol
SMILES [C@]1(OC(C)=O)(C(C)=C[C@]2([C@@](C1)([C@](C)(CC(=O)C2=C(C)C)[H])[H])[H])[H]
SPLASH splash10-067l-5920000000-dcf5a4ed9a82c76b64f2
Source of Spectrum FF-12-392-59
Wiley ID 1775158