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3aH-Indene-3a-carboxylic acid, 4-[(2,5-dimethoxyphenyl)methyl]-1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-methylethyl]octahydro-4-hydroxy-, methyl ester, [1.alpha.(R*),3a.alpha.,4.alpha.,7a.beta.]-(.+-.)-
SpectraBase Compound ID o6gcCVVcSh
InChI InChI=1S/C29H48O6Si/c1-20(19-35-36(8,9)27(2,3)4)23-14-16-29(26(30)34-7)24(23)11-10-15-28(29,31)18-21-17-22(32-5)12-13-25(21)33-6/h12-13,17,20,23-24,31H,10-11,14-16,18-19H2,1-9H3/t20?,23-,24-,28+,29-/m1/s1
InChIKey PVNJNACUSQUQSW-XCOYSWOLSA-N
Mol Weight 520.8 g/mol
Molecular Formula C29H48O6Si
Exact Mass 520.322016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26pzCxlFzE7
Name 3aH-Indene-3a-carboxylic acid, 4-[(2,5-dimethoxyphenyl)methyl]-1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-methylethyl]octahydro-4-hydroxy-, methyl ester, [1.alpha.(R*),3a.alpha.,4.alpha.,7a.beta.]-(.+-.)-
Alternate Name(s) Methyl (1S,3aS,4S,7aR)-1-(2-{[tert-butyl(dimethyl)silyl]oxy}-1-methylethyl)-4-(2,5-dimethoxybenzyl)-4-hydroxyoctahydro-3aH-indene-3a-carboxylate rel-(1S,3aR,4R,7aS)-methyl 1-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1(S)-methylethyl]1,2,3,4,5,6,7,7a-octahydro-4-hydroxy-4-[(2,5-dimethoxyphenyl)methyl]-3ah-indene-1-carboxylate
CAS Registry Number 112946-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O6Si
InChI InChI=1S/C29H48O6Si/c1-20(19-35-36(8,9)27(2,3)4)23-14-16-29(26(30)34-7)24(23)11-10-15-28(29,31)18-21-17-22(32-5)12-13-25(21)33-6/h12-13,17,20,23-24,31H,10-11,14-16,18-19H2,1-9H3/t20?,23-,24-,28+,29-/m1/s1
InChIKey PVNJNACUSQUQSW-XCOYSWOLSA-N
Molecular Weight 520.782 g/mol
SMILES O[C@]1([C@]2([C@@]([C@@](C(CO[Si](C(C)(C)C)(C)C)C)(CC2)[H])(CCC1)[H])C(=O)OC)Cc1c(ccc(c1)OC)OC
SPLASH splash10-0udi-2900000000-deb56fe3dfb6cd675421
Source of Spectrum C-111-7516-69
Wiley ID 1401975