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26;[6AR-(6A-ALPHA,7-BETA,10A-BETA)]-12-METHOXY-7-METHOXYMETHYL-7,10A-DIMETHYL-5,6,6A,7,8,9,10,10A-OCTAHYDROCHRISENE-4-YL-TRIFLUOROACETATE
SpectraBase Compound ID G9hR8kspW7
InChI InChI=1S/C25H29F3O4/c1-23(14-30-3)11-6-12-24(2)17-13-19(31-4)16-7-5-8-18(32-22(29)25(26,27)28)21(16)15(17)9-10-20(23)24/h5,7-8,13,20H,6,9-12,14H2,1-4H3/t20?,23-,24-/m1/s1
InChIKey VRFLXXQEQKMEIO-BPAKYRGESA-N
Mol Weight 450.5 g/mol
Molecular Formula C25H29F3O4
Exact Mass 450.201794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Db9McUze3Hj
Name [6aR-(6aa,7b,10ab)]-12-methoxy-7-methoxymethyl-7-10a-dimethyl-5,6,6a,7,8,9,10,10a-octahydrochrysen-4-yl trifluoroacetate
Alternate Name(s) (6aR,7R,10aS)-12-methoxy-7-(methoxymethyl)-7,10a-dimethyl-5,6,6a,7,8,9,10,10a-octahydro-4-chrysenyl trifluoroacetate
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Formula C25H29F3O4
InChI InChI=1S/C25H29F3O4/c1-23(14-30-3)11-6-12-24(2)17-13-19(31-4)16-7-5-8-18(32-22(29)25(26,27)28)21(16)15(17)9-10-20(23)24/h5,7-8,13,20H,6,9-12,14H2,1-4H3/t20?,23-,24-/m1/s1
InChIKey VRFLXXQEQKMEIO-BPAKYRGESA-N
Molecular Weight 450.498 g/mol
SMILES c12c(c3c(OC(C(F)(F)F)=O)cccc3c(c2)OC)CCC2[C@@]1(CCC[C@@]2(COC)C)C
SPLASH splash10-0udi-0103900000-b2c724eeed29ff0675a3
Source of Spectrum B-47-1815-0
Wiley ID 1387698