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Concept information

... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 6-oxo steroid > 2,22-dideoxy-3-dehydroecdysone
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 2,22-dideoxy-3-dehydroecdysone
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 2,22-dideoxy-3-dehydroecdysone

Preferred term

2,22-dideoxy-3-dehydroecdysone  

Type

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

charge

  • 0

formula

  • C27H42O4

has_parent_hydride

inchi

  • InChI=1S/C27H42O4/c1-17(7-6-11-24(2,3)30)19-10-14-27(31)21-16-23(29)22-15-18(28)8-12-25(22,4)20(21)9-13-26(19,27)5/h16-17,19-20,22,30-31H,6-15H2,1-5H3/t17-,19-,20+,22+,25-,26-,27-/m1/s1

inchikey

  • ADJIOBLYKGQIDH-NOVLVJNXSA-N

mass

  • 430.629

monoisotopicmass

  • 430.30831

smiles

  • [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O

subset

  • 3_STAR

synonym EXACT

  • 14,25-dihydroxy-5beta-cholest-7-ene-3,6-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80533

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