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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > azaspiro compound > tomatidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azaspiro compound > tomatidine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azaspiro compound > tomatidine
... > 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 heterocyclic compound > organonitrogen heterocyclic compound > azaspiro compound > tomatidine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azaspiro compound > tomatidine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > oxaspiro compound > tomatidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > 3beta-hydroxy steroid > tomatidine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > 3beta-hydroxy steroid > tomatidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > 3-hydroxy steroid > 3beta-hydroxy steroid > tomatidine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 3-hydroxy steroid > 3beta-hydroxy steroid > tomatidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 3-hydroxy steroid > 3beta-hydroxy steroid > tomatidine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 3beta-hydroxy steroid > tomatidine
... > 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 > 3-hydroxy steroid > 3beta-hydroxy steroid > tomatidine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 3beta-hydroxy steroid > tomatidine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 3beta-hydroxy steroid > tomatidine

Preferred term

tomatidine  

Type

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

Broader concept

charge

  • 0

formula

  • C27H45NO2

has_parent_hydride

inchi

  • InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1

inchikey

  • XYNPYHXGMWJBLV-VXPJTDKGSA-N

is_conjugate_base_of

mass

  • 415.65174

monoisotopicmass

  • 415.34503

smiles

  • [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(CC[C@H](C)CN5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2

subset

  • 3_STAR

synonym EXACT

  • (22S,25S)-5alpha-spirosolan-3beta-ol
  • Tomatidine

synonym RELATED

  • (3beta,5alpha,22beta,25S)-spirosolan-3-ol
  • 5alpha-tomatidan-3beta-ol
  • Tomatidin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9629

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