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19-Norpregna-1,3,5(10)-trien-4-ol, 3-methoxy-
SpectraBase Compound ID 7ID8VqQAM2C
InChI InChI=1S/C21H30O2/c1-4-13-5-9-18-16-6-7-17-14(8-10-19(23-3)20(17)22)15(16)11-12-21(13,18)2/h8,10,13,15-16,18,22H,4-7,9,11-12H2,1-3H3/t13-,15+,16+,18-,21+/m0/s1
InChIKey RZUHWHIPCNGEPL-AIFHZEHESA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6J31WbskxJd
Name 19-Norpregna-1,3,5(10)-trien-4-ol, 3-methoxy-
Alternate Name(s) (17beta)-17-ethyl-3-methoxyestra-1,3,5(10)-trien-4-ol 3-Methoxy-19-norpregna-1,3,5(10)-trien-4-ol
CAS Registry Number 97560-67-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-4-13-5-9-18-16-6-7-17-14(8-10-19(23-3)20(17)22)15(16)11-12-21(13,18)2/h8,10,13,15-16,18,22H,4-7,9,11-12H2,1-3H3/t13-,15+,16+,18-,21+/m0/s1
InChIKey RZUHWHIPCNGEPL-AIFHZEHESA-N
Molecular Weight 314.469 g/mol
SMILES Oc1c2c([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4(CC)[H])[H])C)[H])ccc1OC
SPLASH splash10-08fu-7219000000-a2b2de0cf6030dbc3fe9
Source of Spectrum B-38-573-0
Wiley ID 1315592