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Chemistry, part 1

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Concept information

organic heterocyclic compound > organic heteropolycyclic compound > organic heterotetracyclic compound > 3-aza-a-homocholest-4a-en-4-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > caprolactams > 3-aza-a-homocholest-4a-en-4-one
organooxygen compound > carboxamide > lactam > caprolactams > 3-aza-a-homocholest-4a-en-4-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > caprolactams > 3-aza-a-homocholest-4a-en-4-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > caprolactams > 3-aza-a-homocholest-4a-en-4-one
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > caprolactams > 3-aza-a-homocholest-4a-en-4-one

Preferred term

3-aza-a-homocholest-4a-en-4-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H45NO

has_parent_hydride

inchi

  • InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h17-19,21-24H,6-16H2,1-5H3,(H,28,29)/t19-,21+,22-,23+,24+,26+,27-/m1/s1

inchikey

  • FKEMOURCBNXSDQ-HZPUXBNGSA-N

mass

  • 399.65230

monoisotopicmass

  • 399.35012

smiles

  • CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)NCC[C@]4(C)[C@H]3CC[C@]12C

subset

  • 3_STAR

synonym EXACT

  • 3-aza-4a-homocholest-4a-en-4-one

synonym RELATED

  • 3-Aza-alpha-homocholest-4alpha-en-4-one
  • (5aR,5bS,7aR,8R,10aS,10bS)-5a,7a-dimethyl-8-[(2R)-6-methylheptan-2-yl]-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3H)-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79753

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