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(1S,7aS)-1-tert-butoxy-4-[2-(3,5-dimethoxyphenyl)ethyl]-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
SpectraBase Compound ID 5Hg1m4sFWbh
InChI InChI=1S/C24H34O4/c1-23(2,3)28-22-10-9-20-19(21(25)11-12-24(20,22)4)8-7-16-13-17(26-5)15-18(14-16)27-6/h13-15,22H,7-12H2,1-6H3/t22-,24-/m0/s1
InChIKey XFALPJHSVXYZEQ-UPVQGACJSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2TeJ7xbe9T
Name (1S,7aS)-1-tert-butoxy-4-[2-(3,5-dimethoxyphenyl)ethyl]-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CAS Registry Number 64272-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-23(2,3)28-22-10-9-20-19(21(25)11-12-24(20,22)4)8-7-16-13-17(26-5)15-18(14-16)27-6/h13-15,22H,7-12H2,1-6H3/t22-,24-/m0/s1
InChIKey XFALPJHSVXYZEQ-UPVQGACJSA-N
Molecular Weight 386.532 g/mol
SMILES C=12[C@@]([C@@](OC(C)(C)C)(CC2)[H])(CCC(C1CCc1cc(OC)cc(c1)OC)=O)C
SPLASH splash10-0udi-1904000000-a8dfd9a4e59e8fb2810e
Source of Spectrum K-113-389-0
Synonyms (1S,7aS)-4-[2-(3,5-dimethoxyphenyl)ethyl]-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3,6,7-tetrahydro-1H-inden-5-one
Wiley ID 1362862