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Concept information

Preferred term

سیلندرول A4  

Type

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

charge

  • 0

formula

  • C28H39ClO6

inchi

  • InChI=1S/C28H39ClO6/c1-15(2)12-24(32)35-23(13-28(7)17(4)9-11-22(31)19(28)6)16(3)8-10-20-26(33)21(14-30)18(5)25(29)27(20)34/h8,14-15,17,19,23,33-34H,9-13H2,1-7H3/b16-8+/t17-,19+,23-,28+/m1/s1

inchikey

  • CJUHWKPMXGYAGR-CVGSNDQKSA-N

mass

  • 507.060

monoisotopicmass

  • 506.24352

smiles

  • ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/[C@H](OC(=O)CC(C)C)C[C@@]2([C@H](C(=O)CC[C@H]2C)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • [(E,2R)-5-(3-chloro-5-ormyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205501

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