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Cyclopentaneacetaldehyde, 1-methyl-2-oxo-5-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [1S-[1.alpha.,5.beta.(R*)]]-
SpectraBase Compound ID 3aIvul3IPGn
InChI InChI=1S/C19H22O4/c1-19(9-10-20)16(7-8-17(19)21)15-5-3-12-11-13(23-2)4-6-14(12)18(15)22/h4,6,10-11,15-16H,3,5,7-9H2,1-2H3/t15-,16-,19-/m0/s1
InChIKey SZHLXKSGZMPRPE-BXWFABGCSA-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 1hEyeAb4wbo
Name Cyclopentaneacetaldehyde, 1-methyl-2-oxo-5-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, [1S-[1.alpha.,5.beta.(R*)]]-
Alternate Name(s) 3-Methoxy-9,17-dioxo-9,11-secoestra-1,3,5(10)-trien-11-al {(1S,2S)-2-[(2S)-6-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl]-1-methyl-5-oxocyclopentyl}acetaldehyde
CAS Registry Number 90243-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-19(9-10-20)16(7-8-17(19)21)15-5-3-12-11-13(23-2)4-6-14(12)18(15)22/h4,6,10-11,15-16H,3,5,7-9H2,1-2H3/t15-,16-,19-/m0/s1
InChIKey SZHLXKSGZMPRPE-BXWFABGCSA-N
Molecular Weight 314.381 g/mol
SMILES C1([C@]([C@]2([C@@](C(=O)CC2)(CC=O)C)[H])(CCc2c1ccc(OC)c2)[H])=O
SPLASH splash10-004i-1910000000-725cbee12adc2935e8e2
Source of Spectrum H-72-723-11
Wiley ID 1315248