skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ester > steroid ester > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > 14-hydroxy steroid > 14beta-hydroxy steroid > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 14-hydroxy steroid > 14beta-hydroxy steroid > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 14-hydroxy steroid > 14beta-hydroxy steroid > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 14-hydroxy steroid > 14beta-hydroxy steroid > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 14-hydroxy steroid > 14beta-hydroxy steroid > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 14-hydroxy steroid > 14beta-hydroxy steroid > digoxigenin 3,12-diacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 14-hydroxy steroid > 14beta-hydroxy steroid > digoxigenin 3,12-diacetate

Preferred term

digoxigenin 3,12-diacetate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H38O7

has_functional_parent

inchi

  • 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

mass

  • 474.58640

monoisotopicmass

  • 474.26175

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

subset

  • 3_STAR

synonym EXACT

  • (3beta,5beta,12beta)-3,12-diacetoxy-14-hydroxycard-20(22)-enolide

synonym RELATED

  • 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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63498

Download this concept:

RDF/XML TURTLE JSON-LD