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Concept information

organooxygen compound > ester > lactone > delta-lactone > 17alpha-sitoindoside ix
organooxygen compound > oxacycle > lactone > delta-lactone > 17alpha-sitoindoside ix
... > organooxygen compound > ether > cyclic ether > epoxide > epoxy steroid > 17alpha-sitoindoside ix
... > organooxygen compound > oxacycle > cyclic ether > epoxide > epoxy steroid > 17alpha-sitoindoside ix

Preferred term

17alpha-sitoindoside ix  

Type

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

charge

  • 0

formula

  • C34H48O12

inchi

  • InChI=1S/C34H48O12/c1-15-11-21(44-29(41)18(15)14-43-30-28(40)27(39)26(38)22(13-35)45-30)16(2)33(42)10-8-19-17-12-25-34(46-25)24(37)6-5-23(36)32(34,4)20(17)7-9-31(19,33)3/h5-6,16-17,19-22,24-28,30,35,37-40,42H,7-14H2,1-4H3/t16-,17+,19+,20+,21-,22-,24+,25-,26-,27+,28-,30-,31+,32+,33+,34-/m1/s1

inchikey

  • KWIFYNJSBRPQGZ-MHWLCCPPSA-N

mass

  • 648.746

monoisotopicmass

  • 648.31458

smiles

  • [C@]123[C@@]([C@]4(CC[C@]5([C@]([C@@]4(C[C@H]1O2)[H])(CC[C@@]5([C@H](C)[C@@]6(OC(=O)C(=C(C6)C)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[H])O)[H])C)[H])(C(=O)C=C[C@@H]3O)C

subset

  • 2_STAR

synonym EXACT

  • 17alpha-sitoindoside IX

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193029

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