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(1S,4S,5S,6R) 4-Benzyloxymethyl-1-(methoxymethoxy)-4,8,8-trimethylbicyclo[3.2.1]octan-7-one-6-yl 1-methylcyclohexa-2,5-dien-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1S,4S,5S,6R) 4-Benzyloxymethyl-1-(methoxymethoxy)-4,8,8-trimethylbicyclo[3.2.1]octan-7-one-6-yl 1-methylcyclohexa-2,5-dien-1-carboxylate
SpectraBase Compound ID B8seyG5YmRF
InChI InChI=1S/C29H38O6/c1-26(2)23-22(35-25(31)27(3)14-10-7-11-15-27)24(30)29(26,34-20-32-5)17-16-28(23,4)19-33-18-21-12-8-6-9-13-21/h6,8-15,22-23H,7,16-20H2,1-5H3/t22-,23-,28-,29-/m1/s1
InChIKey ILFCKWXZVNELJH-JQDNXDNNSA-N
Mol Weight 482.6 g/mol
Molecular Formula C29H38O6
Exact Mass 482.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64R8NYQ0VC6
Name (1S,4S,5S,6R) 4-Benzyloxymethyl-1-(methoxymethoxy)-4,8,8-trimethylbicyclo[3.2.1]octan-7-one-6-yl 1-methylcyclohexa-2,5-dien-1-carboxylate
Alternate Name(s) (1S,4S,5S,6R)-4-[(benzyloxy)methyl]-1-(methoxymethoxy)-4,8,8-trimethyl-7-oxobicyclo[3.2.1]oct-6-yl 1-methyl-2,5-cyclohexadiene-1-carboxylate 4-Benzyloxymethyl-1-(methoxymethoxy)-4,8,8-trimethylbicyclo[3.2.1]octan-7-one-6-yl 1-methylcyclohexa-2,5-dien-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O6
InChI InChI=1S/C29H38O6/c1-26(2)23-22(35-25(31)27(3)14-10-7-11-15-27)24(30)29(26,34-20-32-5)17-16-28(23,4)19-33-18-21-12-8-6-9-13-21/h6,8-15,22-23H,7,16-20H2,1-5H3/t22-,23-,28-,29-/m1/s1
InChIKey ILFCKWXZVNELJH-JQDNXDNNSA-N
Molecular Weight 482.617 g/mol
SMILES [C@@]12(C([C@@]([C@](C2=O)(OC(C2(C=CCC=C2)C)=O)[H])([C@](CC1)(COCc1ccccc1)C)[H])(C)C)OCOC
SPLASH splash10-0006-9010000000-d3ed191c0834b7030cf4
Source of Spectrum AT-35-9398-2
Wiley ID 853005