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steroisomer 7-bezyloxy-r-1,c-5,c-6,c-9-tetramethylbicyclo[4.3.0]nonan-3-one
SpectraBase Compound ID 1R00xKqsV0E
InChI InChI=1S/C20H28O2/c1-14-12-18(22-13-16-8-6-5-7-9-16)20(4)15(2)17(21)10-11-19(14,20)3/h5-9,14-15,18H,10-13H2,1-4H3/t14-,15-,18?,19+,20-/m0/s1
InChIKey SWCMMZZZSIVURP-CHIALOOKSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r5pw7nXq92
Name steroisomer 7-bezyloxy-r-1,c-5,c-6,c-9-tetramethylbicyclo[4.3.0]nonan-3-one
CAS Registry Number 100692-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14-12-18(22-13-16-8-6-5-7-9-16)20(4)15(2)17(21)10-11-19(14,20)3/h5-9,14-15,18H,10-13H2,1-4H3/t14-,15-,18?,19+,20-/m0/s1
InChIKey SWCMMZZZSIVURP-CHIALOOKSA-N
Molecular Weight 300.442 g/mol
SMILES [C@@]12([C@@]([C@@](C)(CC2OCc2ccccc2)[H])(CCC([C@@]1(C)[H])=O)C)C
SPLASH splash10-03di-0920000000-2ee688a170b1137c5768
Source of Spectrum AJ-59-2526-29
Synonyms (1S,3aR,4R,7aR)-3-(benzyloxy)-1,3a,4,7a-tetramethyloctahydro-5H-inden-5-one
Wiley ID 1303366