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12-hydroxy-3-methoxy-11-nor-9,11-seco-1,3,5(10),8-estratetraene-17-one
SpectraBase Compound ID DB4nkgM3eqC
InChI InChI=1S/C18H22O3/c1-18(11-19)16(7-8-17(18)20)14-4-3-13-10-15(21-2)6-5-12(13)9-14/h5-6,9-10,16,19H,3-4,7-8,11H2,1-2H3/t16?,18-/m0/s1
InChIKey MBJWPAZHVVNONZ-DAFXYXGESA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rqrIyAJDU
Name 12-hydroxy-3-methoxy-11-nor-9,11-seco-1,3,5(10),8-estratetraene-17-one
CAS Registry Number 125285-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-18(11-19)16(7-8-17(18)20)14-4-3-13-10-15(21-2)6-5-12(13)9-14/h5-6,9-10,16,19H,3-4,7-8,11H2,1-2H3/t16?,18-/m0/s1
InChIKey MBJWPAZHVVNONZ-DAFXYXGESA-N
Molecular Weight 286.371 g/mol
SMILES OC[C@]1(C(C2=Cc3ccc(cc3CC2)OC)CCC1=O)C
SPLASH splash10-014j-0910000000-4ece09b2399d8bb397b7
Source of Spectrum H-72-729-14
Synonyms (2R)-2-(hydroxymethyl)-3-(6-methoxy-3,4-dihydro-2-naphthalenyl)-2-methylcyclopentanone
Wiley ID 1290171