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3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4,5-dihydroxy-benzoic acid methyl ester

View entire compound with spectra: 2 MS (GC)

3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4,5-dihydroxy-benzoic acid methyl ester
SpectraBase Compound ID GLWE10IKYqS
InChI InChI=1S/C23H32O4/c1-14-7-8-19-22(2,3)9-6-10-23(19,4)17(14)12-15-11-16(21(26)27-5)13-18(24)20(15)25/h7,11,13,17,19,24-25H,6,8-10,12H2,1-5H3/t17-,19-,23+/m0/s1
InChIKey NRCWDIHJNWCNBP-WCAVRKLYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65LrxE3Ei3Z
Name 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4,5-dihydroxy-benzoic acid methyl ester
CAS Registry Number 135823-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-14-7-8-19-22(2,3)9-6-10-23(19,4)17(14)12-15-11-16(21(26)27-5)13-18(24)20(15)25/h7,11,13,17,19,24-25H,6,8-10,12H2,1-5H3/t17-,19-,23+/m0/s1
InChIKey NRCWDIHJNWCNBP-WCAVRKLYSA-N
Molecular Weight 372.505 g/mol
SMILES Oc1cc(cc(c1O)C[C@@]1([C@@]2([C@@](CC=C1C)(C(C)(C)CCC2)[H])C)[H])C(=O)OC
SPLASH splash10-0006-0932000000-b11232cb550e522d6973
Source of Spectrum J-56-6274-6
Synonyms Methyl 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4,5-bis(oxidanyl)benzoate Methyl 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4,5-dihydroxy-benzoate 3-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-4,5-dihydroxybenzoic acid methyl ester
Wiley ID 1355744