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Concept information

organooxygen compound > ester > steroid ester > oleandrigenin monodigitoxoside

Preferred term

oleandrigenin monodigitoxoside  

Type

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

charge

  • 0

formula

  • C31H46O9

inchi

  • InChI=1S/C31H46O9/c1-16-28(35)23(33)13-26(38-16)40-20-7-9-29(3)19(12-20)5-6-22-21(29)8-10-30(4)27(18-11-25(34)37-15-18)24(39-17(2)32)14-31(22,30)36/h11,16,19-24,26-28,33,35-36H,5-10,12-15H2,1-4H3/t16-,19-,20+,21+,22-,23+,24+,26+,27+,28-,29+,30-,31+/m1/s1

inchikey

  • QWTDCDSWAVIWER-DVZRJHCKSA-N

mass

  • 562.69150

monoisotopicmass

  • 562.31418

smiles

  • [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63507

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