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(5S,6S,7S)-5-Benzyloxy-7-hydroxy-9,9-dimethoxy-6-methyl-octahydro-1,4-methano-naphthalen-2-one
SpectraBase Compound ID HDo62K19QzR
InChI InChI=1S/C21H28O5/c1-12-16(22)9-14-18(20(12)26-11-13-7-5-4-6-8-13)15-10-17(23)19(14)21(15,24-2)25-3/h4-8,12,14-16,18-20,22H,9-11H2,1-3H3/t12-,14-,15-,16-,18+,19-,20+/m0/s1
InChIKey BKSCJCDONZNDOL-ZCKXLJLYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWdHEWkRQLR
Name (5S,6S,7S)-5-Benzyloxy-7-hydroxy-9,9-dimethoxy-6-methyl-octahydro-1,4-methano-naphthalen-2-one
Alternate Name(s) (+-)-(1R*,2R*,3S*,4S*,5S*,7S*,8R*)-3-Benzyloxy-5-hydroxy-4-methyltricyclo[6.2.1.0(2,7)]undecan-9-one (3S,4S,5S)-3-(benzyloxy)-5-hydroxy-11,11-dimethoxy-4-methyltricyclo[6.2.1.0(2,7)]undecan-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-12-16(22)9-14-18(20(12)26-11-13-7-5-4-6-8-13)15-10-17(23)19(14)21(15,24-2)25-3/h4-8,12,14-16,18-20,22H,9-11H2,1-3H3/t12-,14-,15-,16-,18+,19-,20+/m0/s1
InChIKey BKSCJCDONZNDOL-ZCKXLJLYSA-N
Molecular Weight 360.450 g/mol
SMILES O[C@]1(C[C@@]2([C@@]3(C([C@]([C@@]2([C@@]([C@]1(C)[H])(OCc1ccccc1)[H])[H])(CC3=O)[H])(OC)OC)[H])[H])[H]
SPLASH splash10-03di-1019000000-028dd88971726ce1763a
Source of Spectrum F-56-2010-7
Wiley ID 856249