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Concept information

Preferred term

4 آلفا کربوکسی کلاله 7،24 (24(1)) dien 3beta ol(1)  

Type

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

charge

  • -1

formula

  • C30H47O3

inchi

  • InChI=1S/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/p-1/b20-7-/t19-,22-,23+,24+,25+,26+,27+,29-,30-/m1/s1

inchikey

  • PLFNGFVQAIAQFS-HHZIVNGQSA-M

mass

  • 455.694

monoisotopicmass

  • 455.35307

smiles

  • C1[C@@]([C@@]2([C@@](C1)(C3=CC[C@@]4([H])[C@H](C([O-])=O)[C@@H](O)CC[C@]4(C)[C@]3(CC2)[H])[H])C)([C@H](C)CC/C(=C/C)/C(C)C)[H]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:142919

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