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3-[(2R,4aS,8aS)-8-(4-Methoxy-benzyloxymethyl)-4a-methyl-1,2,4a,8a-tetrahydro-naphthalen-2-yl]-propionic acid
SpectraBase Compound ID DfBpXNaGdS3
InChI InChI=1S/C23H28O4/c1-23-12-3-4-19(16-27-15-18-5-8-20(26-2)9-6-18)21(23)14-17(11-13-23)7-10-22(24)25/h3-6,8-9,11-13,17,21H,7,10,14-16H2,1-2H3,(H,24,25)/t17-,21+,23+/m0/s1
InChIKey GELLRMBQMURIPL-AMHTUMDSSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kFpjk12k8Y
Name 3-[(2R,4aS,8aS)-8-(4-Methoxy-benzyloxymethyl)-4a-methyl-1,2,4a,8a-tetrahydro-naphthalen-2-yl]-propionic acid
Alternate Name(s) 3-((2R,4aS,8aS)-8-{[(4-methoxybenzyl)oxy]methyl}-4a-methyl-1,2,4a,8a-tetrahydro-2-naphthalenyl)propanoic acid {1,2,4a,8a-Tetrahydro-8-[(p-methoxybenzyl)oxy]methyl-4a-methylnaphthalen-2-yl}-Propanoic Acid
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Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-23-12-3-4-19(16-27-15-18-5-8-20(26-2)9-6-18)21(23)14-17(11-13-23)7-10-22(24)25/h3-6,8-9,11-13,17,21H,7,10,14-16H2,1-2H3,(H,24,25)/t17-,21+,23+/m0/s1
InChIKey GELLRMBQMURIPL-AMHTUMDSSA-N
Molecular Weight 368.473 g/mol
SMILES OC(CC[C@]1(C=C[C@@]2([C@@](C(COCc3ccc(cc3)OC)=CC=C2)(C1)[H])C)[H])=O
SPLASH splash10-00di-0900000000-75c624a6682433a60be5
Source of Spectrum C-88-1077-22
Wiley ID 1590245