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Concept information

Preferred term

shionone  

Type

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

charge

  • 0

formula

  • C30H50O

inchi

  • InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1

inchikey

  • HXPXUNQUXCHJLL-LZQQOHPBSA-N

mass

  • 426.71740

monoisotopicmass

  • 426.38617

smiles

  • [H][C@@]12CCC(=O)[C@H](C)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)C[C@](C)(CCC=C(C)C)CC[C@]12C

subset

  • 3_STAR

synonym EXACT

  • (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one
  • shionone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63459

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