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3-[[(3aS,5R,6R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-non-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methyl]benzoic acid methyl ester
SpectraBase Compound ID 6G2Hvm2VGvC
InChI InChI=1S/C39H66O4Si2/c1-14-15-17-28(2)22-33(42-44(10,11)38(3,4)5)20-21-34-35-26-30(23-29-18-16-19-31(24-29)37(40)41-9)25-32(35)27-36(34)43-45(12,13)39(6,7)8/h16,18-21,24-25,28,32-36H,14-15,17,22-23,26-27H2,1-13H3/b21-20+/t28-,32-,33+,34+,35-,36+/m0/s1
InChIKey MHYKKIVEXDPBPL-VCLSACMBSA-N
Mol Weight 655.1 g/mol
Molecular Formula C39H66O4Si2
Exact Mass 654.449964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HroLtAe0SH7
Name 3-[[(3aS,5R,6R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-non-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methyl]benzoic acid methyl ester
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Formula C39H66O4Si2
InChI InChI=1S/C39H66O4Si2/c1-14-15-17-28(2)22-33(42-44(10,11)38(3,4)5)20-21-34-35-26-30(23-29-18-16-19-31(24-29)37(40)41-9)25-32(35)27-36(34)43-45(12,13)39(6,7)8/h16,18-21,24-25,28,32-36H,14-15,17,22-23,26-27H2,1-13H3/b21-20+/t28-,32-,33+,34+,35-,36+/m0/s1
InChIKey MHYKKIVEXDPBPL-VCLSACMBSA-N
Molecular Weight 655.123 g/mol
SMILES [C@@]12([C@@]([C@@](\C=C\[C@@](O[Si](C(C)(C)C)(C)C)(C[C@](CCCC)(C)[H])[H])([C@@](C2)(O[Si](C(C)(C)C)(C)C)[H])[H])(CC(=C1)Cc1cc(C(=O)OC)ccc1)[H])[H]
SPLASH splash10-0002-1000090000-2e92b228159a1774d79f
Source of Spectrum F-51-5536-8
Synonyms Methyl 3-[[(3aS,5R,6R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-non-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methyl]benzoate 3-[[(3aS,5R,6R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methyl]benzoic acid methyl ester
Wiley ID 791941