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Chemistry, part 2

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Concept information

organooxygen compound > carbonyl compound > ketone > oxo steroid > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
... > 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 > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > oxo steroid > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
... > 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 > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > oxo steroid > 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one

Preferred term

22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H35NO2

has_role

inchi

  • InChI=1S/C27H35NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1

inchikey

  • WMTRIRCBLPHXBU-IWDSGUOSSA-N

mass

  • 405.57230

monoisotopicmass

  • 405.26678

smiles

  • [H][C@@]12C[C@H](C)CN3[C@@]4([H])C[C@@]5([H])[C@]6([H])CCC7=CC(=O)C=C[C@]7(C)C6=CC[C@]5(C)[C@@]4([H])[C@H](C)[C@@]13O2

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69653

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