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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 > dahliane d
... > 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 > dahliane d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > dahliane d

Preferred term

dahliane d  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O5

inchi

  • InChI=1S/C20H30O5/c1-11(9-21)16-18(25)17(24)14-8-13-12(10-22)15(23)4-5-19(13,2)6-7-20(14,16)3/h8,11,16-18,21-22,24-25H,4-7,9-10H2,1-3H3/t11?,16-,17-,18-,19-,20-/m0/s1

inchikey

  • XZPHWDDYNZKGQF-WBACSBQKSA-N

mass

  • 350.455

monoisotopicmass

  • 350.20932

smiles

  • O=C1C(=C2C=C3[C@]([C@@H](C(CO)C)[C@@H]([C@H]3O)O)(C)CC[C@]2(C)CC1)CO

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3-(1-hydroxypropan-2-yl)-3a,5a-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-8-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218174

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