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1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dihydroxy-, tetrakis(1,1-dimethylethyl) ester, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-

View entire compound with spectra: 1 MS (GC)

1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dihydroxy-, tetrakis(1,1-dimethylethyl) ester, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-
SpectraBase Compound ID 3w4GVtolnQb
InChI InChI=1S/C28H42O10/c1-25(2,3)35-21(31)15-13-14(17(19(15)29)23(33)37-27(7,8)9)18(24(34)38-28(10,11)12)20(30)16(13)22(32)36-26(4,5)6/h13-15,18,29-30H,1-12H3/t13-,14+,15+,18+/m1/s1
InChIKey GZNKMILDUSJWJY-LLDVTBCESA-N
Mol Weight 538.6 g/mol
Molecular Formula C28H42O10
Exact Mass 538.277798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQ1qD4ExMjb
Name 1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dihydroxy-, tetrakis(1,1-dimethylethyl) ester, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)-
CAS Registry Number 114057-75-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O10
InChI InChI=1S/C28H42O10/c1-25(2,3)35-21(31)15-13-14(17(19(15)29)23(33)37-27(7,8)9)18(24(34)38-28(10,11)12)20(30)16(13)22(32)36-26(4,5)6/h13-15,18,29-30H,1-12H3/t13-,14+,15+,18+/m1/s1
InChIKey GZNKMILDUSJWJY-LLDVTBCESA-N
Molecular Weight 538.634 g/mol
SMILES OC1=C([C@]2([C@@](C(=C([C@]2([C@@]1(C(OC(C)(C)C)=O)[H])[H])C(OC(C)(C)C)=O)O)(C(OC(C)(C)C)=O)[H])[H])C(OC(C)(C)C)=O
SPLASH splash10-004i-0000900000-8d27dac3587c683b30e9
Source of Spectrum J-53-2336-6
Synonyms tetra(tert-butyl) (1S,3aR,4S,6aR)-2,5-dihydroxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate Tetra-tert-butyl cis-3,7-dihydroxy-cis-bicyclo[3.3.0]octa-2,6-diene-2,4,6,8-tetracarboxylate
Wiley ID 1404314