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(cis-3-4,8,12-Trinortaxan-2,9-dione)-10.alpha.,13.alpha.-diyl)acetate
SpectraBase Compound ID 2XpOqCRFcME
InChI InChI=1S/C21H30O6/c1-11(22)26-13-9-16-18(24)14-7-5-6-8-15(14)19(25)20(27-12(2)23)17(10-13)21(16,3)4/h13-17,20H,5-10H2,1-4H3/t13-,14-,15+,16-,17+,20-/m0/s1
InChIKey PHXMDFGULWJAMZ-OEGABVSNSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5OhQeCxst
Name (cis-3-4,8,12-Trinortaxan-2,9-dione)-10.alpha.,13.alpha.-diyl)acetate
Alternate Name(s) (1R,3S,8R,10S,11S,13R)-10-(acetyloxy)-15,15-dimethyl-2,9-dioxotricyclo[9.3.1.0(3,8)]pentadec-13-yl acetate
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Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-11(22)26-13-9-16-18(24)14-7-5-6-8-15(14)19(25)20(27-12(2)23)17(10-13)21(16,3)4/h13-17,20H,5-10H2,1-4H3/t13-,14-,15+,16-,17+,20-/m0/s1
InChIKey PHXMDFGULWJAMZ-OEGABVSNSA-N
Molecular Weight 378.465 g/mol
SMILES C1([C@]2([C@@](C(=O)[C@]3([C@@](C([C@@]1(C[C@](OC(=O)C)(C2)[H])[H])=O)(CCCC3)[H])[H])(OC(=O)C)[H])[H])(C)C
SPLASH splash10-0fr7-0973000000-5da142bb3b379944acc5
Source of Spectrum F-48-6960-15
Wiley ID 1358803