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rel-(1S,3aR,7aS)-1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1(S)-methylethyl]-1,2,3,4,5,6,7,7a-octahydro-3a-(hydroxymethyl)-4(E)-[(2,5-dimethoxyphenyl)methylene]-3aH-indene
SpectraBase Compound ID GgiwUtp4IA2
InChI InChI=1S/C28H46O4Si/c1-20(18-32-33(7,8)27(2,3)4)24-14-15-28(19-29)22(10-9-11-25(24)28)16-21-17-23(30-5)12-13-26(21)31-6/h12-13,16-17,20,24-25,29H,9-11,14-15,18-19H2,1-8H3/b22-16+/t20-,24-,25+,28+/m1/s1
InChIKey LLXXBPNUMCRPMJ-LYQGLQCWSA-N
Mol Weight 474.8 g/mol
Molecular Formula C28H46O4Si
Exact Mass 474.316536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2RIc17R5vp
Name rel-(1S,3aR,7aS)-1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1(S)-methylethyl]-1,2,3,4,5,6,7,7a-octahydro-3a-(hydroxymethyl)-4(E)-[(2,5-dimethoxyphenyl)methylene]-3aH-indene
CAS Registry Number 112946-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4Si
InChI InChI=1S/C28H46O4Si/c1-20(18-32-33(7,8)27(2,3)4)24-14-15-28(19-29)22(10-9-11-25(24)28)16-21-17-23(30-5)12-13-26(21)31-6/h12-13,16-17,20,24-25,29H,9-11,14-15,18-19H2,1-8H3/b22-16+/t20-,24-,25+,28+/m1/s1
InChIKey LLXXBPNUMCRPMJ-LYQGLQCWSA-N
Molecular Weight 474.757 g/mol
SMILES OC[C@@]12\C(=C\c3c(ccc(c3)OC)OC)CCC[C@]1([C@@]([C@@](CO[Si](C(C)(C)C)(C)C)(C)[H])(CC2)[H])[H]
SPLASH splash10-0ik9-5901100000-e91bf57de19ed975083d
Source of Spectrum C-111-7517-72
Synonyms [(1S,3aR,4E,7aS)-1-((1S)-2-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethyl)-4-(2,5-dimethoxybenzylidene)octahydro-3aH-inden-3a-yl]methanol
Wiley ID 1393956