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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC BY 3.0, For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:digoxigenin 3,12-diacetate
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Accession:CHEBI:63498 term browser browse the term
Definition:A steroid ester that is the 3,12-diacetyl derivative of digoxigenin.
Synonyms:exact_synonym: (3beta,5beta,12beta)-3,12-diacetoxy-14-hydroxycard-20(22)-enolide
 related_synonym: 3,12-Diacetyldigoxigenin;   3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3,12-diacetate;   3beta,12beta-diacetoxy-14-hydroxy-5beta,14beta-card-20(22)-enolide;   Diacetyldigoxigenin;   Digoxigenin diacetate;   Formula=C27H38O7;   InChI=1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-22(25)13-23(34-16(2)29)26(4)20(8-10-27(21,26)31)17-11-24(30)32-14-17/h11,18-23,31H,5-10,12-14H2,1-4H3/t18-,19+,20-,21-,22+,23-,25+,26+,27+/m1/s1;   InChIKey=PERJXZOIRVHGPJ-SHSBHQNSSA-N;   SMILES=[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](OC(C)=O)[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)OC(C)=O
 xref: CAS:6078-59-7;   PMID:7739045;   Reaxys:67275

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Path 1
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  CHEBI ontology 879
    role 859
      biological role 859
        hapten 0
          digoxigenin 0
            digoxigenin 3,12-diacetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 879
    subatomic particle 864
      composite particle 864
        hadron 864
          baryon 864
            nucleon 864
              atomic nucleus 864
                atom 864
                  main group element atom 854
                    p-block element atom 851
                      carbon group element atom 827
                        carbon atom 826
                          organic molecular entity 826
                            organic group 392
                              organic divalent group 390
                                organodiyl group 390
                                  carbonyl group 389
                                    carbonyl compound 389
                                      carboxylic ester 233
                                        lactone 156
                                          steroid lactone 2
                                            cardanolide 2
                                              5beta-cardanolide 2
                                                digoxigenin 0
                                                  digoxigenin 3,12-diacetate 0
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