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11-Oxaestra-1,3,5(10)-trien-17-one, 3-methoxy-
SpectraBase Compound ID JJTy7qlrgGl
InChI InChI=1S/C18H22O3/c1-18-10-21-17-13-6-4-12(20-2)9-11(13)3-5-14(17)15(18)7-8-16(18)19/h4,6,9,14-15,17H,3,5,7-8,10H2,1-2H3/t14-,15-,17+,18-/m0/s1
InChIKey NBUGBJUFYCBSDB-ONIAQPFYSA-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 I4JBTkvZNEI
Name 11-Oxaestra-1,3,5(10)-trien-17-one, 3-methoxy-
Alternate Name(s) Cyclopenta[d]naphtho[1,2-b]pyran, 11-oxaestra-1,3,5(10)-trien-17-one deriv. (4bS,6aR,9aS,9bS)-2-methoxy-6a-methyl-6,6a,8,9,9a,9b,10,11-octahydrobenzo[h]cyclopenta[c]chromen-7(4bH)-one 3-Methoxy-11-oxa-1,3,5(10)-estratrien-17-one 3-Methoxy-11-oxaestrone
CAS Registry Number 125285-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-18-10-21-17-13-6-4-12(20-2)9-11(13)3-5-14(17)15(18)7-8-16(18)19/h4,6,9,14-15,17H,3,5,7-8,10H2,1-2H3/t14-,15-,17+,18-/m0/s1
InChIKey NBUGBJUFYCBSDB-ONIAQPFYSA-N
Molecular Weight 286.371 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(OC2)[H])ccc(OC)c4)[H])(CCC1=O)[H])C
SPLASH splash10-03di-0920000000-c8348556e79e87b73930
Source of Spectrum H-72-729-13
Wiley ID 1290172