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(3R*,3aR*,7aS*)-and (3S*,3aR*,7aS*)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-3-[3-(trimethylsilylmethyl]buten-3-enyl]-3a,4,7,7a-tetrahydro-4,7-methanoisoindolin-1-one
SpectraBase Compound ID K04Rlrff0SC
InChI InChI=1S/C27H39NO4Si/c1-18(17-33(4,5)6)11-13-27(30)25-21-9-8-20(16-21)24(25)26(29)28(27)14-12-19-7-10-22(31-2)23(15-19)32-3/h7-10,15,20-21,24-25,30H,1,11-14,16-17H2,2-6H3/t20?,21-,24+,25-,27?/m1/s1
InChIKey IHLGDZWHNORSBZ-YYOKFJFOSA-N
Mol Weight 469.7 g/mol
Molecular Formula C27H39NO4Si
Exact Mass 469.264835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Up6Jvnj2fW
Name (3R*,3aR*,7aS*)-and (3S*,3aR*,7aS*)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-3-[3-(trimethylsilylmethyl]buten-3-enyl]-3a,4,7,7a-tetrahydro-4,7-methanoisoindolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO4Si
InChI InChI=1S/C27H39NO4Si/c1-18(17-33(4,5)6)11-13-27(30)25-21-9-8-20(16-21)24(25)26(29)28(27)14-12-19-7-10-22(31-2)23(15-19)32-3/h7-10,15,20-21,24-25,30H,1,11-14,16-17H2,2-6H3/t20?,21-,24+,25-,27?/m1/s1
InChIKey IHLGDZWHNORSBZ-YYOKFJFOSA-N
Molecular Weight 469.697 g/mol
SMILES OC1(N(C([C@]2(C3C=C[C@@]([C@@]12[H])(C3)[H])[H])=O)CCc1cc(OC)c(cc1)OC)CCC(C[Si](C)(C)C)=C
SPLASH splash10-0xr0-1900000000-a765e6f2f8b6049777fc
Source of Spectrum F-54-12374-14
Synonyms (2S,6R,7S)-4-[2-(3,4-Dimethoxy-phenyl)-ethyl]-5-hydroxy-5-(3-trimethylsilanylmethyl-but-3-enyl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-3-one
Wiley ID 809215