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O-methylpodocarpic acid pentafluorobenzyl ester
SpectraBase Compound ID I7wA77If1oZ
InChI InChI=1S/C25H25F5O3/c1-24-9-4-10-25(2,17(24)8-6-13-5-7-14(32-3)11-16(13)24)23(31)33-12-15-18(26)20(28)22(30)21(29)19(15)27/h5,7,11,17H,4,6,8-10,12H2,1-3H3/t17?,24-,25-/m1/s1
InChIKey DBFUULJXNFJHNE-ZPADTNKLSA-N
Mol Weight 468.46 g/mol
Molecular Formula C25H25F5O3
Exact Mass 468.172385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLbVhTwOp7v
Name O-methylpodocarpic acid pentafluorobenzyl ester
Alternate Name(s) (1R,4aS)-6-Methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid 2,3,4,5,6-pentafluorobenzyl (4beta)-12-methoxypodocarpa-8,11,13-trien-15-oate
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Formula C25H25F5O3
InChI InChI=1S/C25H25F5O3/c1-24-9-4-10-25(2,17(24)8-6-13-5-7-14(32-3)11-16(13)24)23(31)33-12-15-18(26)20(28)22(30)21(29)19(15)27/h5,7,11,17H,4,6,8-10,12H2,1-3H3/t17?,24-,25-/m1/s1
InChIKey DBFUULJXNFJHNE-ZPADTNKLSA-N
Molecular Weight 468.464 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC([C@]1(C2[C@](c3cc(OC)ccc3CC2)(C)CCC1)C)=O
SPLASH splash10-016r-0490800000-8c8fa711b850dd00593e
Source of Spectrum O-31-1163-0
Wiley ID 1392377