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Concept information

Preferred term

cyclooctatin  

Type

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

charge

  • 0

formula

  • C20H34O3

has_role

inchi

  • InChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-/t13-,14+,15+,17+,18-,19+,20-/m0/s1

inchikey

  • MSKFOQCDNOFJAT-VCRXIKTMSA-N

mass

  • 322.489

monoisotopicmass

  • 322.25079

smiles

  • [H][C@@]1(CO)C[C@@H](O)[C@]2([H])[C@]1([H])C[C@@]1(C)CC[C@H](C(C)C)/C1=C/C[C@]2(C)O

subset

  • 3_STAR

synonym EXACT

  • (1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol
  • (1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
  • cyclooctatin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:78370

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