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1H-Indene-4-carboxylic acid, octahydro-5-(2-hydroxy-4-methoxyphenyl)-7a-methyl-1-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Indene-4-carboxylic acid, octahydro-5-(2-hydroxy-4-methoxyphenyl)-7a-methyl-1-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.beta.)-(.+-.)-
SpectraBase Compound ID 61hCSKNU1S7
InChI InChI=1S/C18H22O5/c1-18-8-7-12(11-4-3-10(23-2)9-14(11)19)16(17(21)22)13(18)5-6-15(18)20/h3-4,9,12-13,16,19H,5-8H2,1-2H3,(H,21,22)/t12-,13+,16+,18+/m1/s1
InChIKey QURLSKANUJMRHT-IHHFWDAISA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LanPN2LnPS1
Name 1H-Indene-4-carboxylic acid, octahydro-5-(2-hydroxy-4-methoxyphenyl)-7a-methyl-1-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.beta.)-(.+-.)-
Alternate Name(s) (3aS,4S,5S,7aS)-5-(2-hydroxy-4-methoxyphenyl)-7a-methyl-1-oxooctahydro-1H-indene-4-carboxylic acid 5-(2'-Hydroxy-4'methoxyphenyl)-7a.beta.-methyl-1-oxo-2,3,3a.alpha.,4,5,6,7,7a-octahydro-1H-indene-4.XI.-carboxylic acid
CAS Registry Number 127728-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-18-8-7-12(11-4-3-10(23-2)9-14(11)19)16(17(21)22)13(18)5-6-15(18)20/h3-4,9,12-13,16,19H,5-8H2,1-2H3,(H,21,22)/t12-,13+,16+,18+/m1/s1
InChIKey QURLSKANUJMRHT-IHHFWDAISA-N
Molecular Weight 318.369 g/mol
SMILES OC([C@]1([C@@](c2c(cc(cc2)OC)O)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H])=O
SPLASH splash10-0udi-1924000000-4c48e10b37175ffd032d
Source of Spectrum B-42-1782-24
Wiley ID 1318517