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(1S,2R,3S,5R,1'R,2'S)-6,6-Dimethyl-3-(1'-ethoxy-2'-phenyl-2'-hydroxy-1'-propylsulfanyl)-2-(O-tert-butyldimethylsilylhydroxymethyl)bicyclo[3.1.1]heptane

View entire compound with spectra: 1 MS (GC)

(1S,2R,3S,5R,1'R,2'S)-6,6-Dimethyl-3-(1'-ethoxy-2'-phenyl-2'-hydroxy-1'-propylsulfanyl)-2-(O-tert-butyldimethylsilylhydroxymethyl)bicyclo[3.1.1]heptane
SpectraBase Compound ID CdNG0PoKNF1
InChI InChI=1S/C27H46O3SSi/c1-10-29-24(27(7,28)19-14-12-11-13-15-19)31-23-17-20-16-22(26(20,5)6)21(23)18-30-32(8,9)25(2,3)4/h11-15,20-24,28H,10,16-18H2,1-9H3/t20-,21-,22-,23+,24?,27?/m1/s1
InChIKey VJLRXMOJFPZMSN-GTNPRVSSSA-N
Mol Weight 478.8 g/mol
Molecular Formula C27H46O3SSi
Exact Mass 478.293693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZeo4l1mZHR
Name (1S,2R,3S,5R,1'R,2'S)-6,6-Dimethyl-3-(1'-ethoxy-2'-phenyl-2'-hydroxy-1'-propylsulfanyl)-2-(O-tert-butyldimethylsilylhydroxymethyl)bicyclo[3.1.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O3SSi
InChI InChI=1S/C27H46O3SSi/c1-10-29-24(27(7,28)19-14-12-11-13-15-19)31-23-17-20-16-22(26(20,5)6)21(23)18-30-32(8,9)25(2,3)4/h11-15,20-24,28H,10,16-18H2,1-9H3/t20-,21-,22-,23+,24?,27?/m1/s1
InChIKey VJLRXMOJFPZMSN-GTNPRVSSSA-N
Molecular Weight 478.807 g/mol
SMILES OC(C(S[C@@]1([C@@]([C@@]2(C(C)(C)[C@](C2)(C1)[H])[H])(CO[Si](C(C)(C)C)(C)C)[H])[H])OCC)(c1ccccc1)C
SPLASH splash10-0a4r-0904000000-664d866fe052f60fea10
Source of Spectrum KD-16-1840-9
Synonyms 1-{[(1R,2S,3S,5R)-2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]sulfanyl}-1-ethoxy-2-phenyl-2-propanol
Wiley ID 1637747