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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzofurans > simplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > simplicibetain
... > 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 > benzofurans > simplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > simplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > simplicibetain
... > 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 > benzofurans > simplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > simplicibetain

Preferred term

simplicibetain  

Type

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

Broader concept

charge

  • 0

formula

  • C26H38O5

inchi

  • InChI=1S/C26H38O5/c1-14-9-10-17-23(4,5)18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)31-26/h14,17-18,27H,9-13H2,1-8H3/t14-,17-,18+,24+,25-,26-/m0/s1

inchikey

  • HZEVYBOSABKEMZ-DPXDLHFZSA-N

mass

  • 430.585

monoisotopicmass

  • 430.27192

smiles

  • O=C1C(=C([C@]2(C[C@@]3(OC2=C1C)[C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@@H]3C)C)C)C)C(=O)OC

subset

  • 2_STAR

synonym EXACT

  • methyl (3R,3'aR,4aS,7S,8S,8aS)-3-hydroxy-3'a,4,4,4',7,7',8a-heptamethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-5'-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216644

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