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SCORTECHTERPENE_A;10-METHOXYAMORPHAN-4-EN-3-ONE
SpectraBase Compound ID L2R5CNJkYIy
InChI InChI=1S/C16H26O2/c1-10(2)12-6-7-16(4,18-5)14-9-15(17)11(3)8-13(12)14/h8,10,12-14H,6-7,9H2,1-5H3/t12-,13-,14-,16-/m0/s1
InChIKey BTNRRZLQYKOIDQ-YXWQFLTLSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4cuaRyBeEa
Name Scortechterpene A
Alternate Name(s) (1S/1R)-1,6-Dimethyl-1-methoxy-4-isopropyl-1,2,3,4,7,8,9,10-octahydronaphthalen-7-one (4aR,5S,8S,8aS)-8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
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Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-10(2)12-6-7-16(4,18-5)14-9-15(17)11(3)8-13(12)14/h8,10,12-14H,6-7,9H2,1-5H3/t12-,13-,14-,16-/m0/s1
InChIKey BTNRRZLQYKOIDQ-YXWQFLTLSA-N
Molecular Weight 250.382 g/mol
SMILES [C@@]12(C=C(C)C(C[C@@]2([C@](OC)(C)CC[C@]1(C(C)C)[H])[H])=O)[H]
SPLASH splash10-000i-9540000000-0cbeb56b02945fe03328
Source of Spectrum X2-68-1016-9
Wiley ID 1609601