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Concept information

organooxygen compound > ether > cyclic ether > gaudichaudiic acid f
organooxygen compound > oxacycle > cyclic ether > gaudichaudiic acid f

Preferred term

gaudichaudiic acid f  

Type

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

charge

  • 0

formula

  • C40H50O9

inchi

  • InChI=1S/C40H50O9/c1-11-36(5,6)28-32-25(21-17-19(3)13-14-23(21)37(7,8)47-32)29(41)26-30(42)27-31(46-12-2)22-18-24-38(9,10)49-39(34(22)43,16-15-20(4)35(44)45)40(24,27)48-33(26)28/h11,15,17,21-24,27,31,41H,1,12-14,16,18H2,2-10H3,(H,44,45)/b20-15+/t21?,22-,23?,24-,27?,31?,39-,40-/m1/s1

inchikey

  • DDXYKUAYCPOGSR-BJBPENEPSA-N

mass

  • 674.81960

monoisotopicmass

  • 674.34548

smiles

  • [H][C@]12C[C@]3([H])C(C)(C)O[C@](C/C=C(/C)C(O)=O)(C1=O)[C@@]31Oc3c(C(=O)C1C2OCC)c(O)c1C2C=C(C)CCC2C(C)(C)Oc1c3C(C)(C)C=C

subset

  • 3_STAR

synonym EXACT

  • (2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7,11,12,12a,13-decahydro-3H,8bH-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65950

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