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Concept information

Preferred term

callophycol a  

Type

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

charge

  • 0

formula

  • C26H35Br4ClO

inchi

  • InChI=1S/C26H35Br4ClO/c1-15-6-7-20-25(4,18(15)13-16-12-17(27)14-19(28)23(16)32)10-9-22(30)26(20,5)11-8-21(29)24(2,3)31/h12,14,18,20-22,32H,1,6-11,13H2,2-5H3/t18-,20+,21?,22-,25+,26-/m1/s1

inchikey

  • RWUQIKIJRXVZFL-ZSCBFHBVSA-N

mass

  • 718.62400

monoisotopicmass

  • 713.91099

smiles

  • [H][C@]12CCC(=C)[C@@H](Cc3cc(Br)cc(Br)c3O)[C@]1(C)CC[C@@H](Br)[C@]2(C)CCC(Br)C(C)(C)Cl

subset

  • 3_STAR

synonym EXACT

  • 2,4-dibromo-6-{[(1R,4aS,5R,6R,8aS)-6-bromo-5-(3-bromo-4-chloro-4-methylpentyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]methyl}phenol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65565

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