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E-2-(3'-Hydroxy-2'-(3"-ethoxybut-2"-enyl)-2'-methyl-cyclopentyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SpectraBase Compound ID JPccqrEN1Gh
InChI InChI=1S/C23H32O4/c1-5-27-15(2)12-13-23(3)20(10-11-21(23)24)19-8-6-16-14-17(26-4)7-9-18(16)22(19)25/h7,9,12,14,19-21,24H,5-6,8,10-11,13H2,1-4H3/b15-12-/t19-,20-,21+,23-/m0/s1
InChIKey DJKBLGWRMZWBQS-QIZUIYBKSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WhE0pOOT29
Name E-2-(3'-Hydroxy-2'-(3"-ethoxybut-2"-enyl)-2'-methyl-cyclopentyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Alternate Name(s) (2S)-2-{(1S,2S,3R)-2-[(2Z)-3-ethoxy-2-butenyl]-3-hydroxy-2-methylcyclopentyl}-6-methoxy-3,4-dihydro-1(2H)-naphthalenone E-2-(3'-Hydroxy-2'-(3''-ethoxybut-2''-enyl)-2'-methyl-3-oxocyclopentyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-5-27-15(2)12-13-23(3)20(10-11-21(23)24)19-8-6-16-14-17(26-4)7-9-18(16)22(19)25/h7,9,12,14,19-21,24H,5-6,8,10-11,13H2,1-4H3/b15-12-/t19-,20-,21+,23-/m0/s1
InChIKey DJKBLGWRMZWBQS-QIZUIYBKSA-N
Molecular Weight 372.505 g/mol
SMILES O[C@]1([C@]([C@]([C@]2(C(c3c(CC2)cc(OC)cc3)=O)[H])(CC1)[H])(C\C=C\(OCC)C)C)[H]
SPLASH splash10-004i-5901000000-13cd8e8e02088f8ded6d
Source of Spectrum F-62-1733-21
Wiley ID 1632329