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Concept information

Preferred term

3-(allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol  

Type

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

charge

  • 0

formula

  • C21H28O3

has_functional_parent

has_parent_hydride

inchi

  • InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19-,20+,21+/m1/s1

inchikey

  • GVKVGOGUDSJCLX-YQPXSLGVSA-N

mass

  • 328.44520

monoisotopicmass

  • 328.20384

smiles

  • C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O

subset

  • 3_STAR

synonym EXACT

  • 3-(prop-2-en-1-yloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79756

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