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(2R,3S)-2-[(1S,3aR,4S,6S,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl]-5-(1,3-dioxolan-2-yl)-3-methyl-pentanoic acid
SpectraBase Compound ID JLoCZotU3PL
InChI InChI=1S/C29H52O8Si/c1-20(8-13-26-34-16-17-35-26)27(28(30)31)21-9-10-22-23(11-12-24(22)36-19-33-15-14-32-5)25(18-21)37-38(6,7)29(2,3)4/h9-10,20-27H,8,11-19H2,1-7H3,(H,30,31)/t20-,21+,22+,23+,24-,25-,27+/m0/s1
InChIKey LYZGVCMNRPHGTG-KPQZWGSWSA-N
Mol Weight 556.8 g/mol
Molecular Formula C29H52O8Si
Exact Mass 556.343145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z44OV28SjM
Name (2R,3S)-2-[(1S,3aR,4S,6S,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl]-5-(1,3-dioxolan-2-yl)-3-methyl-pentanoic acid
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Formula C29H52O8Si
InChI InChI=1S/C29H52O8Si/c1-20(8-13-26-34-16-17-35-26)27(28(30)31)21-9-10-22-23(11-12-24(22)36-19-33-15-14-32-5)25(18-21)37-38(6,7)29(2,3)4/h9-10,20-27H,8,11-19H2,1-7H3,(H,30,31)/t20-,21+,22+,23+,24-,25-,27+/m0/s1
InChIKey LYZGVCMNRPHGTG-KPQZWGSWSA-N
Molecular Weight 556.812 g/mol
SMILES OC([C@@]([C@]1(C[C@@]([C@]2([C@@](C=C1)([C@@](OCOCCOC)(CC2)[H])[H])[H])(O[Si](C(C)(C)C)(C)C)[H])[H])([C@](CCC1OCCO1)(C)[H])[H])=O
SPLASH splash10-0a4i-0053900000-3bc84242165d2de4ba5f
Source of Spectrum KC-0-3454-14
Synonyms (2R,3S)-2-[(1S,3aR,4S,6S,8aR)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl]-5-(1,3-dioxolan-2-yl)-3-methyl-valeric acid
Wiley ID 782740