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Concept information

Preferred term

7 اکسو گانودریک اسید Z  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O4

inchi

  • InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23-24,32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,24+,28-,29-,30+/m1/s1

inchikey

  • ZNDCXCGTAALLTP-DKYKKQJNSA-N

mass

  • 470.694

monoisotopicmass

  • 470.33961

smiles

  • O=C1C2=C([C@]3(CC[C@@H](C([C@@H]3C1)(C)C)O)C)CC[C@]4([C@]2(CC[C@@H]4[C@@H](CC/C=C(/C(=O)O)/C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198855

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