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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 12-o-deacetyl-19-o-methyl-12-epi-deoxoscalarin
... > 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 > organic heteropolycyclic compound > organic heteropentacyclic compound > 12-o-deacetyl-19-o-methyl-12-epi-deoxoscalarin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 12-o-deacetyl-19-o-methyl-12-epi-deoxoscalarin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 12-o-deacetyl-19-o-methyl-12-epi-deoxoscalarin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 12-o-deacetyl-19-o-methyl-12-epi-deoxoscalarin

Preferred term

12-o-deacetyl-19-o-methyl-12-epi-deoxoscalarin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H42O3

has_functional_parent

has_role

inchi

  • InChI=1S/C26H42O3/c1-23(2)11-7-12-24(3)17(23)10-13-25(4)18-9-8-16-15-29-22(28-6)21(16)26(18,5)20(27)14-19(24)25/h8,17-22,27H,7,9-15H2,1-6H3/t17-,18-,19+,20+,21+,22+,24-,25-,26+/m0/s1

inchikey

  • BIJAKZXAJWXIHK-GLJICWRDSA-N

mass

  • 402.60990

monoisotopicmass

  • 402.31340

smiles

  • CO[C@@H]1OCC2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12

subset

  • 3_STAR

synonym EXACT

  • (1R,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-1-methoxy-5b,8,8,11a,13a-pentamethyl-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydrochryseno[1,2-c]furan-13-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68040

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