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endo-(3S,8R,9S)-9-tert-Butyldimethylsilyloxy-3-hydroxy-3-isopropyl-6'-methoxyrubane
SpectraBase Compound ID JvGbxaVkAaG
InChI InChI=1S/C27H42N2O3Si/c1-18(2)27(30)17-29-14-12-19(27)15-24(29)25(32-33(7,8)26(3,4)5)21-11-13-28-23-10-9-20(31-6)16-22(21)23/h9-11,13,16,18-19,24-25,30H,12,14-15,17H2,1-8H3/t19-,24-,25+,27-/m1/s1
InChIKey PQFVYQGHSIAUMN-QSEFLHEVSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H42N2O3Si
Exact Mass 470.29647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAF3Y4Ag5xG
Name endo-(3S,8R,9S)-9-tert-Butyldimethylsilyloxy-3-hydroxy-3-isopropyl-6'-methoxyrubane
Alternate Name(s) 6-[(S)-(tert-Butyl-dimethyl-silanyloxy)-(6-methoxy-quinolin-4-yl)-methyl]-3-isopropyl-1-aza-bicyclo[2.2.2]octan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42N2O3Si
InChI InChI=1S/C27H42N2O3Si/c1-18(2)27(30)17-29-14-12-19(27)15-24(29)25(32-33(7,8)26(3,4)5)21-11-13-28-23-10-9-20(31-6)16-22(21)23/h9-11,13,16,18-19,24-25,30H,12,14-15,17H2,1-8H3/t19-,24-,25+,27-/m1/s1
InChIKey PQFVYQGHSIAUMN-QSEFLHEVSA-N
Molecular Weight 470.729 g/mol
SMILES O[C@@]1([C@]2(C[C@@](N(C1)CC2)([C@](c1c2c(ncc1)ccc(c2)OC)(O[Si](C(C)(C)C)(C)C)[H])[H])[H])C(C)C
SPLASH splash10-00di-9007200000-82dae00d9feaf271c7ee
Source of Spectrum F-53-9155-3
Wiley ID 802732