skip to main content

Chemistry, part 2

Content language

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

Concept information

... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione
... > 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 > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > oxo steroid > 20-oxo steroid > pregna-4,16-diene-3,11,20-trione

Preferred term

pregna-4,16-diene-3,11,20-trione  

Type

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

Broader concept

charge

  • 0

formula

  • C21H26O3

inchi

  • InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h6,10,15,17,19H,4-5,7-9,11H2,1-3H3/t15-,17-,19+,20-,21+/m0/s1

inchikey

  • IKTWAVWPFLQACH-RJQCYMMPSA-N

mass

  • 326.42930

monoisotopicmass

  • 326.18819

smiles

  • CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79664

Download this concept:

RDF/XML TURTLE JSON-LD