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Concept information

Preferred term

algestone acetophenide  

Type

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

alt_id

  • CHEBI:49321

charge

  • 0

formula

  • C29H36O4

has_role

inchi

  • InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1

inchikey

  • AHBKIEXBQNRDNL-FVCOMRFXSA-N

mass

  • 448.59374

monoisotopicmass

  • 448.26136

smiles

  • [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2O[C@](C)(O[C@@]12C(C)=O)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • 16alpha,17-[(1R)-1-phenylethane-1,1-diyldioxy]pregn-4-ene-3,20-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:49327

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