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Cyclopentanecarboxaldehyde, 1-methyl-2-oxo-5-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [1R-[1.alpha.,5.beta.(S*)]]-
SpectraBase Compound ID 2yPteqsieUI
InChI InChI=1S/C18H20O4/c1-18(10-19)15(7-8-16(18)20)14-5-3-11-9-12(22-2)4-6-13(11)17(14)21/h4,6,9-10,14-15H,3,5,7-8H2,1-2H3/t14-,15-,18-/m0/s1
InChIKey KQBSUBABXARRJS-MPGHIAIKSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DY3f5cxz4Lc
Name Cyclopentanecarboxaldehyde, 1-methyl-2-oxo-5-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [1R-[1.alpha.,5.beta.(S*)]]-
CAS Registry Number 125285-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-18(10-19)15(7-8-16(18)20)14-5-3-11-9-12(22-2)4-6-13(11)17(14)21/h4,6,9-10,14-15H,3,5,7-8H2,1-2H3/t14-,15-,18-/m0/s1
InChIKey KQBSUBABXARRJS-MPGHIAIKSA-N
Molecular Weight 300.354 g/mol
SMILES [C@]1([C@]([C@]2(C(c3ccc(cc3CC2)OC)=O)[H])(CCC1=O)[H])(C=O)C
SPLASH splash10-004i-0910000000-8fb378452b5ec34fdb98
Source of Spectrum H-72-730-16
Synonyms (1R,2S)-2-[(2S)-6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl]-1-methyl-5-oxocyclopentanecarbaldehyde 3-Methoxy-9,17-dioxo-11-nor-9,11-seco-1,3,5(10)-estratriene-12-ol
Wiley ID 1303048