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4-[2-[(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]ethyl]benzoic acid methyl ester
SpectraBase Compound ID FhDBXLl0FZ3
InChI InChI=1S/C40H68O4Si2/c1-14-15-16-29(2)25-34(43-45(10,11)39(3,4)5)23-24-35-36-27-31(18-17-30-19-21-32(22-20-30)38(41)42-9)26-33(36)28-37(35)44-46(12,13)40(6,7)8/h19-24,26,29,33-37H,14-18,25,27-28H2,1-13H3/b24-23+/t29-,33-,34+,35+,36-,37+/m0/s1
InChIKey NPTBBSUTIGLZFO-LHESJYBSSA-N
Mol Weight 669.2 g/mol
Molecular Formula C40H68O4Si2
Exact Mass 668.465614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuXG9QPYIrI
Name 4-[2-[(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]ethyl]benzoic acid methyl ester
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Formula C40H68O4Si2
InChI InChI=1S/C40H68O4Si2/c1-14-15-16-29(2)25-34(43-45(10,11)39(3,4)5)23-24-35-36-27-31(18-17-30-19-21-32(22-20-30)38(41)42-9)26-33(36)28-37(35)44-46(12,13)40(6,7)8/h19-24,26,29,33-37H,14-18,25,27-28H2,1-13H3/b24-23+/t29-,33-,34+,35+,36-,37+/m0/s1
InChIKey NPTBBSUTIGLZFO-LHESJYBSSA-N
Molecular Weight 669.150 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)CCc1ccc(C(=O)OC)cc1)[H])[H]
SPLASH splash10-03di-1000009000-c5fa7e6d4def7594a6ff
Source of Spectrum F-51-5537-13
Synonyms Methyl 4-[2-[(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]ethyl]benzoate 4-[2-[(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]ethyl]benzoic acid methyl ester
Wiley ID 791939