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Chemistry, part 2

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Concept information

... > 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 > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enone > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
... > 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 > alpha,beta-unsaturated ketone > enone > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol

Preferred term

11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O3

has_parent_hydride

inchi

  • InChI=1S/C20H30O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,18-,20-/m1/s1

inchikey

  • ZFELGQUOUOELBZ-YHDXIDRWSA-N

mass

  • 318.45040

monoisotopicmass

  • 318.21949

smiles

  • [H][C@]12CC[C@]3([H])C(C)(C)[C@H](O)[C@H](O)C[C@@]3(C)[C@]1([H])C(=O)C=C(C=C)[C@H]2C

subset

  • 3_STAR

synonym EXACT

  • (1S,4aR,4bR,6R,7S,8aS,10aR)-6,7-dihydroxy-2-ethenyl-1,4b,8,8-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one

synonym RELATED

  • 11-keto-ent-cassa-12,15-dien-2beta,3beta-diol
  • (1S,4aR,4bR,6R,7S,8aS,10aR)-6,7-dihydroxy-1,4b,8,8-tetramethyl-2-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
  • 2alpha,3alpha-dihydroxy-11-keto-ent-cassa-12,15-diene
  • 2alpha,3alpha-dihydroxy-11-oxo-ent-cassa-12,15-diene

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:72661

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