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Concept information

Preferred term

bonnadiene  

Type

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

charge

  • 0

formula

  • C20H32

inchi

  • InChI=1S/C20H32/c1-13(2)17-8-6-15(4)18-9-7-16(5)20(18)11-10-14(3)12-19(17)20/h12-13,16-17,19H,6-11H2,1-5H3/t16-,17-,19+,20+/m1/s1

inchikey

  • QKYMGWUTPNTJDU-JYBIWHBTSA-N

mass

  • 272.476

monoisotopicmass

  • 272.25040

smiles

  • [H][C@@]12C=C(C)CC[C@@]11[C@H](C)CCC1=C(C)CC[C@@H]2C(C)C

subset

  • 3_STAR

synonym EXACT

  • (3R,3aR,7aR,8R)-3,6,11-trimethyl-8-(propan-2-yl)-2,3,4,5,7a,8,9,10-octahydro-1H-benzo[d]azulene
  • bonnadiene

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219774

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