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Concept information

Preferred term

گانودریک اسید S  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O3

inchi

  • InChI=1S/C30H44O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,28-,29-,30+/m1/s1

inchikey

  • AQUHIKXTCOSRFY-YAMUFALGSA-N

mass

  • 452.679

monoisotopicmass

  • 452.32905

smiles

  • O=C1C([C@]2([C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CC/C=C(/C)/C(O)=O)C)[H])(CC3)C)C)=CC2)(CC1)C)[H])(C)C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169409

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