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17,21-Cyclo-19-norpregna-1,3,5(10)-triene-20-carbonitrile, 20-(hydroxymethyl)-3-methoxy-, (20S)-
SpectraBase Compound ID FYq1NPSOLou
InChI InChI=1S/C23H29NO2/c1-21-9-7-18-17-6-4-16(26-2)11-15(17)3-5-19(18)20(21)8-10-23(21)12-22(23,13-24)14-25/h4,6,11,18-20,25H,3,5,7-10,12,14H2,1-2H3/t18-,19-,20+,21+,22+,23+/m1/s1
InChIKey JLBSKSQWODVNPQ-GSKAWHTLSA-N
Mol Weight 351.49 g/mol
Molecular Formula C23H29NO2
Exact Mass 351.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zbJrEGe9o
Name 17,21-Cyclo-19-norpregna-1,3,5(10)-triene-20-carbonitrile, 20-(hydroxymethyl)-3-methoxy-, (20S)-
Alternate Name(s) (1S,1'S,2S,10'S,11'S,15'S)-2-(hydroxymethyl)-5'-methoxy-15'-methylspiro[cyclopropane-1,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-2'(7'),3',5'-triene-2-carbonitrile (20S)-20-(hydroxymethyl)-3-methoxy-17,20-methylen-19-nor-1,3,5(10)-pregnatrien-21-nitrile Spiro[17H-cyclopenta[a]phenanthrene-17,1'-cyclopropane], 17,21-cyclo-19-norpregna-1,3,5(10)-triene-20-carbonitrile deriv.
CAS Registry Number 68352-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO2
InChI InChI=1S/C23H29NO2/c1-21-9-7-18-17-6-4-16(26-2)11-15(17)3-5-19(18)20(21)8-10-23(21)12-22(23,13-24)14-25/h4,6,11,18-20,25H,3,5,7-10,12,14H2,1-2H3/t18-,19-,20+,21+,22+,23+/m1/s1
InChIKey JLBSKSQWODVNPQ-GSKAWHTLSA-N
Molecular Weight 351.490 g/mol
SMILES OC[C@@]1([C@]2([C@@]3([C@@]([C@@]4(CCc5c([C@]4(CC3)[H])ccc(OC)c5)[H])([H])CC2)C)C1)C#N
SPLASH splash10-01ba-0951000000-a49a2f3852d62fdd004f
Source of Spectrum K-111-3101-0
Wiley ID 1342762