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4,8-Azulenedicarboxylic acid, 1,2,3,3a,4,5,6,8a-octahydro-5,7-dihydroxy-5-methyl-2-oxo-, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID 92EJGXsMmdY
InChI InChI=1S/C21H32O7/c1-19(2,3)27-17(24)15-12-8-11(22)9-13(12)16(18(25)28-20(4,5)6)21(7,26)10-14(15)23/h12-13,16,23,26H,8-10H2,1-7H3
InChIKey QUWGHBYIASGJTN-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H32O7
Exact Mass 396.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMahUca6Wl2
Name 4,8-Azulenedicarboxylic acid, 1,2,3,3a,4,5,6,8a-octahydro-5,7-dihydroxy-5-methyl-2-oxo-, bis(1,1-dimethylethyl) ester
CAS Registry Number 62359-92-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O7
InChI InChI=1S/C21H32O7/c1-19(2,3)27-17(24)15-12-8-11(22)9-13(12)16(18(25)28-20(4,5)6)21(7,26)10-14(15)23/h12-13,16,23,26H,8-10H2,1-7H3
InChIKey QUWGHBYIASGJTN-UHFFFAOYSA-N
Molecular Weight 396.480 g/mol
SMILES OC=1CC(C(C2C(C1C(OC(C)(C)C)=O)CC(C2)=O)C(OC(C)(C)C)=O)(O)C
SPLASH splash10-00lr-0090000000-2c9eb4c759fbe6264151
Source of Spectrum K-110-152-0
Synonyms di(tert-butyl) 5,7-dihydroxy-5-methyl-2-oxo-1,2,3,3a,4,5,6,8a-octahydro-4,8-azulenedicarboxylate Di-tert-butylester of 3-hydroxy-3-methyl-5,9-dioxobicyclo(5.3.0)decan-2,6-dicarboxylic acid
Wiley ID 1367423