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(1R,2R,4S,5S)-2-(tert-Butoxycarbonylmethyl)-7,7-dimethoxy-3-oxobicyclo[3.3.0]octan-2,4-dicarboxlic acid dimethylester
SpectraBase Compound ID 4mMqKxW3Q9J
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+/m0/s1
InChIKey JNAYIUWHIHJDPM-ZPROISHUSA-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 3mW9FhqvqK
Name (1R,2R,4S,5S)-2-(tert-Butoxycarbonylmethyl)-7,7-dimethoxy-3-oxobicyclo[3.3.0]octan-2,4-dicarboxlic acid dimethylester
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+/m0/s1
InChIKey JNAYIUWHIHJDPM-ZPROISHUSA-N
Molecular Weight 414.451 g/mol
SMILES C1[C@]2([C@@](CC1(OC)OC)([C@](C([C@]2(C(OC)=O)[H])=O)(C(=O)OC)CC(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-004l-0097000000-fec8bd9727d25c774cd0
Source of Spectrum K-115-1443-8a
Synonyms Dimethyl (1R,3S,3aS,6aR)-1-(2-(tert-butoxy)-2-oxoethyl)-5,5-dimethoxy-2-oxooctahydropentalene-1,3-dicarboxylate
Wiley ID 1791955