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[1R-(1.beta.,3a.alpha.,4.beta.,7a.beta.)]-octahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-7a-methyl-1H-indene-1-acetic acid ethyl ester
SpectraBase Compound ID 4iXjJXUUhmB
InChI InChI=1S/C19H32O4/c1-3-21-17(20)13-14-9-10-15-16(7-6-11-19(14,15)2)23-18-8-4-5-12-22-18/h14-16,18H,3-13H2,1-2H3/t14-,15+,16+,18?,19-/m1/s1
InChIKey IDXUIFXOFTYJQN-JTEDIOBDSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O4
Exact Mass 324.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sgXaW5Gwaf
Name [1R-(1.beta.,3a.alpha.,4.beta.,7a.beta.)]-octahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-7a-methyl-1H-indene-1-acetic acid ethyl ester
CAS Registry Number 112138-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O4
InChI InChI=1S/C19H32O4/c1-3-21-17(20)13-14-9-10-15-16(7-6-11-19(14,15)2)23-18-8-4-5-12-22-18/h14-16,18H,3-13H2,1-2H3/t14-,15+,16+,18?,19-/m1/s1
InChIKey IDXUIFXOFTYJQN-JTEDIOBDSA-N
Molecular Weight 324.461 g/mol
SMILES [C@]12([C@]([C@@](OC3OCCCC3)(CCC1)[H])(CC[C@@]2(CC(=O)OCC)[H])[H])C
SPLASH splash10-000i-9020000000-5624bde68ff145fea9e8
Source of Spectrum J-53-1044-19
Synonyms Ethyl[(1R,3aR,4S,7aR)-7a-methyl-4-(tetrahydro-2H-pyran-2-yloxy)octahydro-1H-inden-1-yl]acetate
Wiley ID 1323379