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Chemistry, part 1

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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 > tertiary alcohol > sch 213766
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > sch 213766
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > sch 213766
organooxygen compound > ester > carboxylic ester > sch 213766
organooxygen compound > carbonyl compound > carboxylic ester > sch 213766
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > enol > sch 213766
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > enol > sch 213766
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > enol > sch 213766
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enol > sch 213766
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > pyrrolidin-2-ones > sch 213766
... > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > pyrrolidinone > pyrrolidin-2-ones > sch 213766
... > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > pyrrolidinone > pyrrolidin-2-ones > sch 213766
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > gamma-lactam > pyrrolidin-2-ones > sch 213766
... > organooxygen compound > carboxamide > lactam > gamma-lactam > pyrrolidin-2-ones > sch 213766
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > gamma-lactam > pyrrolidin-2-ones > sch 213766
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > gamma-lactam > pyrrolidin-2-ones > sch 213766
... > organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > gamma-lactam > pyrrolidin-2-ones > sch 213766

Preferred term

sch 213766  

Type

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

Broader concept

alt_id

  • CHEBI:68711

charge

  • 0

formula

  • C26H37NO6

has_functional_parent

has_role

inchi

  • InChI=1S/C26H37NO6/c1-7-14(3)17-9-8-16-11-13(2)10-15(4)19(16)20(17)23(29)21-22(28)18(27-24(21)30)12-26(5,32)25(31)33-6/h7-9,13,15-20,29,32H,10-12H2,1-6H3,(H,27,30)/b14-7+,23-21-/t13-,15+,16-,17+,18-,19-,20-,26-/m1/s1

inchikey

  • ITWQKCOXYYEWRZ-VOHDXAEZSA-N

mass

  • 459.57510

monoisotopicmass

  • 459.26209

smiles

  • COC(=O)[C@](C)(O)C[C@H]1NC(=O)/C(=C(/O)[C@@H]2[C@@H](C=C[C@@H]3C[C@H](C)C[C@H](C)[C@@H]23)C(/C)=C/C)C1=O

subset

  • 3_STAR

synonym EXACT

  • methyl (2R)-3-{(2R,4Z)-4-[{(1S,2R,4aR,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyldecahydronaphthalen-1-yl}(hydroxy)methylidene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66178

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