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Substance Name: Tetragalacturonic acid hydroxymethylester
RN: 53008-15-4
UNII: 94C20R1E96
InChIKey: PGQMFCVZFGJVNB-LRVJTQDXSA-N

Molecular Formula

  • C28-H42-O29

Molecular Weight

  • 842.6108
 
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Names and Synonyms

Name of Substance

  • Tetragalacturonic acid hydroxymethylester

Synonyms

  • Tetragalacturonic acid hydroxymethylester
  • UNII-94C20R1E96

Registry Numbers

CAS Registry Number

  • 53008-15-4

FDA UNII

  • 94C20R1E96

System Generated Number

  • 0053008154

Structure Descriptors

InChI

1S/C28H42O29/c29-1-47-22(43)17-6(34)5(33)11(39)26(55-17)53-15-8(36)13(41)28(57-19(15)24(45)49-3-31)54-16-9(37)12(40)27(56-20(16)25(46)50-4-32)52-14-7(35)10(38)21(42)51-18(14)23(44)48-2-30/h5-21,26-42H,1-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,26-,27-,28-/m0/s1

InChIKey

PGQMFCVZFGJVNB-LRVJTQDXSA-N

Smiles

C(O)OC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)OCO)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)OCO)O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]4C(=O)OCO)O)O)O)O)O)O)O)O)O)O