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Concept information

organic peroxide > 9(11)-dehydroaxinysterol

Preferred term

9(11)-dehydroaxinysterol  

Type

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

charge

  • 0

formula

  • C28H40O3

has_parent_hydride

inchi

  • InChI=1S/C28H40O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,19-23,29H,1,9-11,13-14,17H2,2-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1

inchikey

  • UUHVMJGTJKDDFG-LEOBWYFPSA-N

mass

  • 424.61540

monoisotopicmass

  • 424.29775

smiles

  • [H][C@@]1(CC[C@]2([H])[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)/C=C/[C@H](C)C(C)=C

subset

  • 3_STAR

synonym EXACT

  • (3S,5S,8S,10R,13R,14R,17R)-17-[(2R,3E,5S)-5,6-dimethylhepta-3,6-dien-2-yl]-10,13-dimethyl-1,3,4,10,12,13,14,15,16,17-decahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65733

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