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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > (5s)-3-[(1s,2r,4ar,6r,8as)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1h-pyrrol-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > hexahydronaphthalenes > (5s)-3-[(1s,2r,4ar,6r,8as)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1h-pyrrol-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > hexahydronaphthalenes > (5s)-3-[(1s,2r,4ar,6r,8as)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1h-pyrrol-2-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > hexahydronaphthalenes > (5s)-3-[(1s,2r,4ar,6r,8as)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1h-pyrrol-2-one

Preferred term

(5s)-3-[(1s,2r,4ar,6r,8as)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1h-pyrrol-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C26H39NO2

has_functional_parent

inchi

  • InChI=1S/C26H39NO2/c1-8-17(5)22-18(6)14-26(7)13-16(4)9-10-21(26)23(22)24(28)20-12-19(11-15(2)3)27-25(20)29/h8,12,14-16,19,21-23H,9-11,13H2,1-7H3,(H,27,29)/b17-8+/t16-,19+,21+,22-,23+,26+/m1/s1

inchikey

  • DBHUBRADIOMJGQ-YMBOSVBOSA-N

mass

  • 397.603

monoisotopicmass

  • 397.29808

smiles

  • [C@]12(CC[C@@H](C)C[C@]1(C=C([C@H]([C@H]2C(=O)C3=C[C@@H](NC3=O)CC(C)C)/C(=C/C)/C)C)C)[H]

subset

  • 2_STAR

synonym EXACT

  • (5S)-3-[(1S,2R,4aR,6R,8aS)-2-(but-2-en-2-yl)-3,4a,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-(2-methylpropyl)-2,5-dihydro-1H-pyrrol-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169934

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