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13-Methoxytotara-5,8,11,13-tetraen-7-one
SpectraBase Compound ID 8OY7qOSckY9
InChI InChI=1S/C21H28O2/c1-13(2)18-16(23-6)9-8-14-19(18)15(22)12-17-20(3,4)10-7-11-21(14,17)5/h8-9,12-13H,7,10-11H2,1-6H3/t21-/m1/s1
InChIKey HCLOTJKZZSFGOP-OAQYLSRUSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDNE3LBeS
Name 13-Methoxytotara-5,8,11,13-tetraen-7-one
Alternate Name(s) (S)-8-Isopropyl-7-methoxy-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene 14-isopropyl-13-methoxypodocarpa-5,8,11,13-tetraen-7-one
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Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-13(2)18-16(23-6)9-8-14-19(18)15(22)12-17-20(3,4)10-7-11-21(14,17)5/h8-9,12-13H,7,10-11H2,1-6H3/t21-/m1/s1
InChIKey HCLOTJKZZSFGOP-OAQYLSRUSA-N
Molecular Weight 312.453 g/mol
SMILES C1=2[C@@](c3ccc(c(c3C(C2)=O)C(C)C)OC)(CCCC1(C)C)C
SPLASH splash10-01r2-0093000000-06acd3232a35112fa668
Source of Spectrum B-51-608-4
Wiley ID 745791