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1(2H)-Naphthalenone, 2-[2-(3-butenyl)-4-hydroxy-1-methylcyclohexyl]-3,4-dihydro-6-methoxy- , [1.alpha.(R*),2.beta.,4.beta.]-(.+-.)-
SpectraBase Compound ID BZMxf581o8a
InChI InChI=1S/C22H30O3/c1-4-5-6-16-14-17(23)11-12-22(16,2)20-10-7-15-13-18(25-3)8-9-19(15)21(20)24/h4,8-9,13,16-17,20,23H,1,5-7,10-12,14H2,2-3H3/t16?,17-,20-,22-/m1/s1
InChIKey NCTYYMYGSLRASM-RTIVQEIQSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxC7egjqhat
Name 1(2H)-Naphthalenone, 2-[2-(3-butenyl)-4-hydroxy-1-methylcyclohexyl]-3,4-dihydro-6-methoxy- , [1.alpha.(R*),2.beta.,4.beta.]-(.+-.)-
Alternate Name(s) (2S)-2-[(1R,4R)-2-(3-butenyl)-4-hydroxy-1-methylcyclohexyl]-6-methoxy-3,4-dihydro-1(2H)-naphthalenone 2-(2-but-3-enyl-4.beta.-hydroxy-1-methylcyclohexyl)-6-methoxy-3,4-dihydronaphthalene-1(2H)-one
CAS Registry Number 79043-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-4-5-6-16-14-17(23)11-12-22(16,2)20-10-7-15-13-18(25-3)8-9-19(15)21(20)24/h4,8-9,13,16-17,20,23H,1,5-7,10-12,14H2,2-3H3/t16?,17-,20-,22-/m1/s1
InChIKey NCTYYMYGSLRASM-RTIVQEIQSA-N
Molecular Weight 342.479 g/mol
SMILES O[C@@]1(CC[C@@]([C@]2(C(c3c(CC2)cc(cc3)OC)=O)[H])(C(C1)CCC=C)C)[H]
SPLASH splash10-004i-0900000000-745b2e66cd87864718be
Source of Spectrum KC-1982-2636-0
Wiley ID 1336924