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3-Methoxyestra-1(10),2,4,8,14-pentaen-17-one
SpectraBase Compound ID 8a9szjxLERT
InChI InChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6-7,11H,3,5,8-10H2,1-2H3/t19-/m0/s1
InChIKey GYDAWQFRJMIWHJ-IBGZPJMESA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2g9ADgKEcq
Name 3-Methoxyestra-1(10),2,4,8,14-pentaen-17-one
Alternate Name(s) (13S)-3-methoxy-13-methyl-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
CAS Registry Number 1456-50-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6-7,11H,3,5,8-10H2,1-2H3/t19-/m0/s1
InChIKey GYDAWQFRJMIWHJ-IBGZPJMESA-N
Molecular Weight 280.367 g/mol
SMILES C=12C3=C(c4ccc(cc4CC3)OC)CC[C@@]2(C(=O)CC1)C
SPLASH splash10-0ue9-0190000000-8264387832a0744eb0dc
Source of Spectrum QC-9-2698-3
Wiley ID 870639