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Concept information

Preferred term

گانوکولوبتاوسین A  

Type

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

Broader concept

charge

  • 0

formula

  • C32H44O6

inchi

  • InChI=1S/C32H44O6/c1-19(29(35)36)8-12-27(37-21(3)33)20(2)24-15-17-32(7)26-11-10-25-22(9-13-28(34)38-30(25,4)5)18-23(26)14-16-31(24,32)6/h8-9,13,18,20,24-25,27H,10-12,14-17H2,1-7H3,(H,35,36)/t20-,24+,25+,27-,31+,32-/m0/s1

inchikey

  • DSPYYNFPQSYRER-XHCMJWLRSA-N

mass

  • 524.698

monoisotopicmass

  • 524.31379

smiles

  • O=C1OC([C@@H]2CCC=3[C@]4([C@]([C@@H]([C@@H]([C@@H](OC(=O)C)CC=C(C(=O)O)C)C)CC4)(C)CCC3C=C2C=C1)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (5S,6S)-5-acetyloxy-2-methyl-6-[(9R,13R,16R,17R)-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-16-yl]hept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226739

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