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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > ergostanoid > integracide g
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > integracide g
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > integracide g
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > integracide g
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > integracide g

Preferred term

integracide g  

Type

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

Broader concept

charge

  • 0

formula

  • C42H68O7

inchi

  • InChI=1S/C42H68O7/c1-26(2)27(3)18-19-28(4)31-21-22-32-30-20-23-34-40(6,7)38(49-35(46)17-15-13-11-10-12-14-16-24-43)33(45)25-41(34,8)36(30)37(47)39(42(31,32)9)48-29(5)44/h22,26,28,31,33-34,37-39,43,45,47H,3,10-21,23-25H2,1-2,4-9H3/t28-,31-,33-,34+,37-,38+,39+,41+,42-/m0/s1

inchikey

  • IGVGDAIOAPBYLG-OSFRGKOFSA-N

mass

  • 684.999

monoisotopicmass

  • 684.49650

smiles

  • O=C(O[C@H]1C([C@@H]2[C@@](C3=C(C4=CC[C@H]([C@]4(C)[C@@H]([C@H]3O)OC(=O)C)[C@H](CCC(=C)C(C)C)C)CC2)(C)C[C@@H]1O)(C)C)CCCCCCCCCO

subset

  • 2_STAR

synonym EXACT

  • [(2S,3S,5S,10R,11S,12S,13S,17S)-12-acetyloxy-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 10-hydroxydecanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218979

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