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(1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)-6,6-Ethylenedioxy-4b-hydroxy-1,4a-dimethyl-2-oxoperhydrophenanthrene-8a-carbonitrile
SpectraBase Compound ID GEigYq6n80i
InChI InChI=1S/C19H27NO4/c1-13-14-3-6-17(12-20)7-8-18(23-9-10-24-18)11-19(17,22)16(14,2)5-4-15(13)21/h13-14,22H,3-11H2,1-2H3/t13-,14-,16-,17-,19-/m0/s1
InChIKey URXVQITXKDRBKZ-IXPCIPTPSA-N
Mol Weight 333.43 g/mol
Molecular Formula C19H27NO4
Exact Mass 333.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWfM8djItCv
Name (1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)-6,6-Ethylenedioxy-4b-hydroxy-1,4a-dimethyl-2-oxoperhydrophenanthrene-8a-carbonitrile
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Formula C19H27NO4
InChI InChI=1S/C19H27NO4/c1-13-14-3-6-17(12-20)7-8-18(23-9-10-24-18)11-19(17,22)16(14,2)5-4-15(13)21/h13-14,22H,3-11H2,1-2H3/t13-,14-,16-,17-,19-/m0/s1
InChIKey URXVQITXKDRBKZ-IXPCIPTPSA-N
Molecular Weight 333.428 g/mol
SMILES O[C@@]12[C@@]3([C@@]([C@](C)(C(CC3)=O)[H])([H])CC[C@@]1(C#N)CCC1(C2)OCCO1)C
SPLASH splash10-0002-9221000000-8f463c8b0e665728fea3
Source of Spectrum B-44-937-29
Synonyms (4'aS,4'bS,8'S,8'aS,10'aS)-4'a-hydroxy-4'b,8'-dimethyl-7'-oxo-dodecahydro-1'H-spiro[1,3-dioxolane-2,3'-phenanthrene]-10'a-carbonitrile
Wiley ID 1330301