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N-chloroazasteroid 18 to 14-chloro-3-methoxy-16-aza-1,3,5,(10)-estratrien-15-one
SpectraBase Compound ID AeggEvaeovb
InChI InChI=1S/C18H22ClNO2/c1-17-8-7-14-13-5-4-12(22-2)9-11(13)3-6-15(14)18(17,19)16(21)20-10-17/h4-5,9,14-15H,3,6-8,10H2,1-2H3,(H,20,21)/t14?,15?,17-,18?/m1/s1
InChIKey ZUJCFMCVCHBCCO-SZBXFDNESA-N
Mol Weight 319.83 g/mol
Molecular Formula C18H22ClNO2
Exact Mass 319.133907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15uL4x06Cbf
Name N-chloroazasteroid 18 to 14-chloro-3-methoxy-16-aza-1,3,5,(10)-estratrien-15-one
CAS Registry Number 119111-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22ClNO2
InChI InChI=1S/C18H22ClNO2/c1-17-8-7-14-13-5-4-12(22-2)9-11(13)3-6-15(14)18(17,19)16(21)20-10-17/h4-5,9,14-15H,3,6-8,10H2,1-2H3,(H,20,21)/t14?,15?,17-,18?/m1/s1
InChIKey ZUJCFMCVCHBCCO-SZBXFDNESA-N
Molecular Weight 319.832 g/mol
SMILES N1C[C@]2(CCC3C(C2(C1=O)Cl)CCc1cc(ccc31)OC)C
SPLASH splash10-00rx-8492000000-57fd13b96b7d818fcee0
Source of Spectrum J-54-1909-20
Synonyms (11aR)-3a-chloro-7-methoxy-11a-methyl-1,2,3a,3b,4,5,9b,10,11,11a-decahydro-3H-naphtho[2,1-e]isoindol-3-one
Wiley ID 1319385