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1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[2-methyl-3-oxo-2-[2-(1-piperidinyl)ethenyl]cyclopentyl]-, [1S-[1.alpha.(R*),2.beta.(E)]]-
SpectraBase Compound ID GqWSsOyCQq7
InChI InChI=1S/C24H31NO3/c1-24(12-15-25-13-4-3-5-14-25)21(10-11-22(24)26)20-8-6-17-16-18(28-2)7-9-19(17)23(20)27/h7,9,12,15-16,20-21H,3-6,8,10-11,13-14H2,1-2H3/b15-12+/t20?,21?,24-/m0/s1
InChIKey DWKVYWKKNYRGBC-SNHNBRILSA-N
Mol Weight 381.52 g/mol
Molecular Formula C24H31NO3
Exact Mass 381.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bhqS3Pfr4l
Name 1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-2-[2-methyl-3-oxo-2-[2-(1-piperidinyl)ethenyl]cyclopentyl]-, [1S-[1.alpha.(R*),2.beta.(E)]]-
CAS Registry Number 125285-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO3
InChI InChI=1S/C24H31NO3/c1-24(12-15-25-13-4-3-5-14-25)21(10-11-22(24)26)20-8-6-17-16-18(28-2)7-9-19(17)23(20)27/h7,9,12,15-16,20-21H,3-6,8,10-11,13-14H2,1-2H3/b15-12+/t20?,21?,24-/m0/s1
InChIKey DWKVYWKKNYRGBC-SNHNBRILSA-N
Molecular Weight 381.516 g/mol
SMILES [C@]1(C(C2C(c3ccc(cc3CC2)OC)=O)CCC1=O)(\C=C\N1CCCCC1)C
SPLASH splash10-0kei-3922000000-598c074785b55541381c
Source of Spectrum H-72-729-15
Synonyms (E)-3-Methoxy-11-(1'-piperidinyl)-9,11-seco-1,3,5(10),11-estratetraene-9,17-dione 6-Methoxy-2-{(2R)-2-methyl-3-oxo-2-[(E)-2-(1-piperidinyl)ethenyl]cyclopentyl}-3,4-dihydro-1(2H)-naphthalenone
Wiley ID 1360274