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3-Methoxy-9-oxo-9,11-seco-1,3,5(10)-estratrien-11,17-lactone
SpectraBase Compound ID 92eqFOs8zbR
InChI InChI=1S/C19H22O4/c1-19-10-17(20)23-16(19)8-7-15(19)14-5-3-11-9-12(22-2)4-6-13(11)18(14)21/h4,6,9,14-16H,3,5,7-8,10H2,1-2H3/t14-,15-,16-,19-/m0/s1
InChIKey CBHIMFDJEIWSIT-FPXQBCRKSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QNKUlHsLAc
Name 3-Methoxy-9-oxo-9,11-seco-1,3,5(10)-estratrien-11,17-lactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-19-10-17(20)23-16(19)8-7-15(19)14-5-3-11-9-12(22-2)4-6-13(11)18(14)21/h4,6,9,14-16H,3,5,7-8,10H2,1-2H3/t14-,15-,16-,19-/m0/s1
InChIKey CBHIMFDJEIWSIT-FPXQBCRKSA-N
Molecular Weight 314.381 g/mol
SMILES [C@]12([C@]([C@]3(C(c4ccc(cc4CC3)OC)=O)[H])(CC[C@@]2(OC(C1)=O)[H])[H])C
SPLASH splash10-004i-0911000000-602eb9899d61fa2db34f
Source of Spectrum SO-0-163-7
Synonyms (3aS,4S,6aS)-4-[(2S)-6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl]-3a-methylhexahydro-2H-cyclopenta[b]furan-2-one
Wiley ID 872980