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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > scopararane i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > scopararane i
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > scopararane i

Preferred term

scopararane i  

Type

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

Broader concept

charge

  • 0

formula

  • C26H36O7

inchi

  • InChI=1S/C26H36O7/c1-7-24(5)9-8-16-18(22(24)30)19(28)20(29)21-25(6,12-32-23(31)13(2)3)17(33-14(4)27)10-15-11-26(15,16)21/h7,13,15,17,20-22,29-30H,1,8-12H2,2-6H3/t15?,17-,20+,21?,22-,24+,25-,26-/m1/s1

inchikey

  • YVANLSBUDIGWKW-JUZVTWBDSA-N

mass

  • 460.567

monoisotopicmass

  • 460.24610

smiles

  • O=C1C2=C([C@@]34C(C[C@H]([C@](C3[C@H]1O)(COC(=O)C(C)C)C)OC(=O)C)C4)CC[C@@]([C@@H]2O)(C=C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,5R,6S,9R,11R,12R)-12-acetyloxy-5-ethenyl-6,9-dihydroxy-5,11-dimethyl-8-oxo-11-tetracyclo[8.5.0.01,14.02,7]pentadec-2(7)-enyl]methyl 2-methylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220168

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