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(1R,4R,5S,8S,9R)-8-Benzyloxy-9-benzyloxymethyl-4,5-dimethylbicyclo[3.3.1]-3-nonene-2-one
SpectraBase Compound ID 9RG2ncbCCxf
InChI InChI=1S/C26H32O3/c1-19-15-23(27)25-22(18-28-16-20-9-5-3-6-10-20)26(19,2)14-13-24(25)29-17-21-11-7-4-8-12-21/h3-12,19,22,24-25H,13-18H2,1-2H3/t19-,22?,24+,25?,26?/m1/s1
InChIKey OTXHPZMHMDRWCH-FWDNPGHGSA-N
Mol Weight 392.5 g/mol
Molecular Formula C26H32O3
Exact Mass 392.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyAhKPcUeqd
Name (1R,4R,5S,8S,9R)-8-Benzyloxy-9-benzyloxymethyl-4,5-dimethylbicyclo[3.3.1]-3-nonene-2-one
Alternate Name(s) (4R,8S)-8-Benzyloxy-9-benzyloxymethyl-4,5-dimethylbicyclo[3.3.1]-nonane-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O3
InChI InChI=1S/C26H32O3/c1-19-15-23(27)25-22(18-28-16-20-9-5-3-6-10-20)26(19,2)14-13-24(25)29-17-21-11-7-4-8-12-21/h3-12,19,22,24-25H,13-18H2,1-2H3/t19-,22?,24+,25?,26?/m1/s1
InChIKey OTXHPZMHMDRWCH-FWDNPGHGSA-N
Molecular Weight 392.539 g/mol
SMILES C12(C(C(C(C[C@]2(C)[H])=O)[C@](CC1)(OCc1ccccc1)[H])COCc1ccccc1)C
SPLASH splash10-0006-9002000000-3c28e7e17a38cd30465f
Source of Spectrum F-50-681-30
Wiley ID 1366056