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9,5-Propeno-5H-benzocycloheptene-6,8,10,12-tetracarboxylic acid, 6,9-dihydro-7,11-dihydroxy-, tetramethyl ester, stereoisomer
SpectraBase Compound ID 6aLSbbPNmC4
InChI InChI=1S/C22H22O10/c1-29-19(25)13-11-9-7-5-6-8-10(9)12(15(17(13)23)21(27)31-3)16(22(28)32-4)18(24)14(11)20(26)30-2/h5-8,11-13,16,23-24H,1-4H3/t11-,12+,13+,16+/m0/s1
InChIKey GCPPVJICDUSQFP-VPWBDBDCSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azt5be3yVtY
Name 9,5-Propeno-5H-benzocycloheptene-6,8,10,12-tetracarboxylic acid, 6,9-dihydro-7,11-dihydroxy-, tetramethyl ester, stereoisomer
CAS Registry Number 52485-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-29-19(25)13-11-9-7-5-6-8-10(9)12(15(17(13)23)21(27)31-3)16(22(28)32-4)18(24)14(11)20(26)30-2/h5-8,11-13,16,23-24H,1-4H3/t11-,12+,13+,16+/m0/s1
InChIKey GCPPVJICDUSQFP-VPWBDBDCSA-N
Molecular Weight 446.408 g/mol
SMILES OC=1[C@@]([C@]2(C(=C([C@@]([C@@](C1C(=O)OC)(c1c2cccc1)[H])(C(=O)OC)[H])O)C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0fb9-0920000000-9ad404192e43dccc7b38
Source of Spectrum H-57-2436-7
Synonyms 3,7-Dihydroxy-4,8,2.beta.,6.beta.-tetramethoxycarbonyl-9,10-benzobicyclo(3.3.2)dec-3,7,9-triene Tetramethyl (11R,14R)-10,13-dihydroxytricyclo[6.3.3.0(2,7)]tetradeca-2,4,6,9,12-pentaene-9,11,12,14-tetracarboxylate
Wiley ID 1386527