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METHYL-5-BETA-(2'-HYDROXY-4'-METHOXYPHENYL)-1-BETA-METHOXY-7A-BETA-METHYL-2,3,3A-ALPHA,4,5,6,7,7A-OCTAHYDRO-1H-INDENE-4-ALPHA-CARBOXYLATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

METHYL-5-BETA-(2'-HYDROXY-4'-METHOXYPHENYL)-1-BETA-METHOXY-7A-BETA-METHYL-2,3,3A-ALPHA,4,5,6,7,7A-OCTAHYDRO-1H-INDENE-4-ALPHA-CARBOXYLATE
SpectraBase Compound ID 1aPoSWhoHlm
InChI InChI=1S/C20H28O5/c1-20-10-9-14(13-6-5-12(23-2)11-16(13)21)18(19(22)25-4)15(20)7-8-17(20)24-3/h5-6,11,14-15,17-18,21H,7-10H2,1-4H3/t14-,15+,17+,18-,20+/m1/s1
InChIKey YAXCATHGFIUDSR-YCWKWXDGSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5vAVQgID8c
Name Methyl 5.beta.-(2'-hydroxy-4'-methoxyphenyl)-1.beta.-methoxy-7a.beta.-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-4.alpha.-carboxylate
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Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-20-10-9-14(13-6-5-12(23-2)11-16(13)21)18(19(22)25-4)15(20)7-8-17(20)24-3/h5-6,11,14-15,17-18,21H,7-10H2,1-4H3/t14-,15+,17+,18-,20+/m1/s1
InChIKey YAXCATHGFIUDSR-YCWKWXDGSA-N
Molecular Weight 348.439 g/mol
SMILES Oc1c([C@@]2([C@]([C@]3([C@](CC2)([C@@](OC)(CC3)[H])C)[H])(C(=O)OC)[H])[H])ccc(OC)c1
SPLASH splash10-0v4r-3922000000-32602b0ce2e0e476a2f9
Source of Spectrum B-51-1013-11
Synonyms Methyl (1S,3aS,4S,5S,7aS)-5-(2-hydroxy-4-methoxyphenyl)-1-methoxy-7a-methyloctahydro-1H-indene-4-carboxylate
Wiley ID 745927