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1,3-Pentalenedicarboxylic acid, 1-[2-(1,1-dimethylethoxy)-2-oxoethyl]octahydro-5,5-dimethoxy-2-oxo-, dimethyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID 56ITzT04OZ6
InChI InChI=1S/C20H30O9/c1-18(2,3)29-13(21)10-20(17(24)26-5)12-9-19(27-6,28-7)8-11(12)14(15(20)22)16(23)25-4/h11-12,14H,8-10H2,1-7H3/t11-,12+,14-,20+/m1/s1
InChIKey JNAYIUWHIHJDPM-QJVCWMCKSA-N
Mol Weight 414.45 g/mol
Molecular Formula C20H30O9
Exact Mass 414.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cVnIIGMPxj
Name 1,3-Pentalenedicarboxylic acid, 1-[2-(1,1-dimethylethoxy)-2-oxoethyl]octahydro-5,5-dimethoxy-2-oxo-, dimethyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 82031-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O9
InChI InChI=1S/C20H30O9/c1-18(2,3)29-13(21)10-20(17(24)26-5)12-9-19(27-6,28-7)8-11(12)14(15(20)22)16(23)25-4/h11-12,14H,8-10H2,1-7H3/t11-,12+,14-,20+/m1/s1
InChIKey JNAYIUWHIHJDPM-QJVCWMCKSA-N
Molecular Weight 414.451 g/mol
SMILES [C@@]1(C([C@](C(=O)OC)([C@]2([C@@]1(CC(OC)(OC)C2)[H])[H])[H])=O)(C(=O)OC)CC(OC(C)(C)C)=O
SPLASH splash10-004l-0098000000-08bdc1d11cd6254e5d28
Source of Spectrum K-115-1443-0
Synonyms Dimethyl (1S,3R,3aR,6aS)-1-(2-tert-butoxy-2-oxoethyl)-5,5-dimethoxy-2-oxooctahydro-1,3-pentalenedicarboxylate Dimethyl ester of 2-(t-butoxycarbonylmethyl)-7,7-dimethoxy-3-oxobicyclo[3.3.0]octan-2,4-dicarboxylic acid
Wiley ID 1375275