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Concept information

Preferred term

سیلندرول A3  

Type

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

charge

  • 0

formula

  • C28H40O6

inchi

  • InChI=1S/C28H40O6/c1-16(2)12-26(32)34-25(14-28(7)19(5)9-11-23(30)20(28)6)17(3)8-10-21-24(31)13-18(4)22(15-29)27(21)33/h8,13,15-16,19-20,25,31,33H,9-12,14H2,1-7H3/b17-8+/t19-,20+,25-,28+/m1/s1

inchikey

  • DIYZHFWGNBYBAL-VLEPHYJKSA-N

mass

  • 472.622

monoisotopicmass

  • 472.28249

smiles

  • O=C1[C@@H]([C@]([C@H](C)CC1)(C[C@@H](OC(=O)CC(C)C)/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(E,2R)-5-(3-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:199091

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