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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 > 16-o-deacetyl-16-epi-scalarolbutenolide
... > 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 > 16-o-deacetyl-16-epi-scalarolbutenolide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 16-o-deacetyl-16-epi-scalarolbutenolide
... > 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 > 16-o-deacetyl-16-epi-scalarolbutenolide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > 16-o-deacetyl-16-epi-scalarolbutenolide
... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
... > 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 > carboxylic ester > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
organooxygen compound > ester > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
organooxygen compound > oxacycle > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
... > 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 > oxacycle > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > 16-o-deacetyl-16-epi-scalarolbutenolide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 16-o-deacetyl-16-epi-scalarolbutenolide
... > 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 > 16-o-deacetyl-16-epi-scalarolbutenolide

Preferred term

16-o-deacetyl-16-epi-scalarolbutenolide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38O4

has_role

inchi

  • InChI=1S/C25H38O4/c1-22(2)8-6-9-23(3)16(22)7-10-24(4)17(23)13-19(27)25(5)18(24)12-15(26)14-11-20(28)29-21(14)25/h11,15-19,21,26-27H,6-10,12-13H2,1-5H3/t15-,16-,17+,18-,19+,21-,23-,24+,25+/m0/s1

inchikey

  • WXBIVFTUNMFIEW-BIDUORLQSA-N

mass

  • 402.56680

monoisotopicmass

  • 402.27701

smiles

  • [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@@H](O)[C@]4(C)[C@H]5OC(=O)C=C5[C@@H](O)C[C@@]34[H])[C@@]1(C)CCCC2(C)C

subset

  • 3_STAR

synonym EXACT

  • (4S,5aS,5bR,7aS,11aS,11bR,13R,13aR,13bS)-4,13-dihydroxy-5b,8,8,11a,13a-pentamethyl-5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-b]furan-2(4H)-one

synonym RELATED

  • Hyrtios sesterterpene 1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66061

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