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1.beta.-Methoxy-5.beta.-(2'-hydroxy-4'-methoxyphenyl)-7a.beta.-methyl-octahydro-1H-indene-4.alpha.-carboxylic acid
SpectraBase Compound ID 5EyNm0YsxYo
InChI InChI=1S/C19H26O5/c1-19-9-8-13(12-5-4-11(23-2)10-15(12)20)17(18(21)22)14(19)6-7-16(19)24-3/h4-5,10,13-14,16-17,20H,6-9H2,1-3H3,(H,21,22)/t13-,14?,16+,17-,19+/m1/s1
InChIKey LHMWVKBAXDZZDN-SBFKLWGDSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kE5U6fb9sJ
Name 1.beta.-Methoxy-5.beta.-(2'-hydroxy-4'-methoxyphenyl)-7a.beta.-methyl-octahydro-1H-indene-4.alpha.-carboxylic acid
Alternate Name(s) (1S,4S,5S,7aS)-5-(2-hydroxy-4-methoxyphenyl)-1-methoxy-7a-methyloctahydro-1H-indene-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-19-9-8-13(12-5-4-11(23-2)10-15(12)20)17(18(21)22)14(19)6-7-16(19)24-3/h4-5,10,13-14,16-17,20H,6-9H2,1-3H3,(H,21,22)/t13-,14?,16+,17-,19+/m1/s1
InChIKey LHMWVKBAXDZZDN-SBFKLWGDSA-N
Molecular Weight 334.412 g/mol
SMILES OC([C@@]1([C@@](c2c(cc(cc2)OC)O)(CC[C@]2(C1CC[C@@]2(OC)[H])C)[H])[H])=O
SPLASH splash10-0g73-6932000000-17f01b3606d84310a7a5
Source of Spectrum B-51-1015-14
Wiley ID 745919