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(+-)-(1R*,2R*,3S*,4S*,5R*,7S*,8R*)-3-Benzyloxy-5-hydroxy-4-methyltricyclo[6.2.1.0(2,7)]undecan-9-one
SpectraBase Compound ID 29G3dn0LeHi
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-QCCQPVRASA-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 634z4DpUxeB
Name (+-)-(1R*,2R*,3S*,4S*,5R*,7S*,8R*)-3-Benzyloxy-5-hydroxy-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-QCCQPVRASA-N
Molecular Weight 360.450 g/mol
SMILES O[C@@]1(CC2[C@@]3(C([C@](C2[C@@]([C@]1(C)[H])(OCc1ccccc1)[H])(CC3=O)[H])(OC)OC)[H])[H]
SPLASH splash10-03di-1019000000-5c5c73b7fc4207113aa8
Source of Spectrum F-56-2010-8
Synonyms (5S,6S,7R)-5-Benzyloxy-7-hydroxy-9,9-dimethoxy-6-methyl-octahydro-1,4-methano-naphthalen-2-one
Wiley ID 856248