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4-Benzoyl-3a-hydroxy-7a-methyl-5-propyl-octahydro-inden-1-one
SpectraBase Compound ID Bpb7c4RmpFW
InChI InChI=1S/C20H26O3/c1-3-7-14-10-12-19(2)16(21)11-13-20(19,23)17(14)18(22)15-8-5-4-6-9-15/h4-6,8-9,14,17,23H,3,7,10-13H2,1-2H3/t14-,17-,19-,20+/m1/s1
InChIKey VQBQEHLYMABGSQ-JRJVTICQSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CVTdSWiNU
Name 4-Benzoyl-3a-hydroxy-7a-methyl-5-propyl-octahydro-inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-3-7-14-10-12-19(2)16(21)11-13-20(19,23)17(14)18(22)15-8-5-4-6-9-15/h4-6,8-9,14,17,23H,3,7,10-13H2,1-2H3/t14-,17-,19-,20+/m1/s1
InChIKey VQBQEHLYMABGSQ-JRJVTICQSA-N
Literature Reference DOI 10.1021/ol9014943
Molecular Weight 314.425 g/mol
SMILES O[C@@]12CCC(=O)[C@@]2(C)CC[C@]([C@@]1(C(c1ccccc1)=O)[H])(CCC)[H]
SPLASH splash10-056u-2911000000-f0255274d621378d38eb
Source of Spectrum A1-11-3778/SMS16-30
Synonyms (3aS,4S,5R,7aS)-4-benzoyl-3a-hydroxy-7a-methyl-5-propyloctahydro-1H-inden-1-one
Wiley ID 1757207