skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > rp-1551-4
... > 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 > rp-1551-4
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > rp-1551-4

Preferred term

rp-1551-4  

Type

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

Broader concept

charge

  • 0

formula

  • C25H29ClO6

inchi

  • InChI=1S/C25H29ClO6/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-31-16)21-20(19(28)10-15(4)27)24(30)32-25(21,5)23(29)22(17)26/h7-9,11-13,15,20-21,27H,6,10H2,1-5H3/b8-7+,14-9+/t13?,15?,20-,21-,25+/m1/s1

inchikey

  • GZKZGQBQFWIDTD-WVRAITJISA-N

mass

  • 460.950

monoisotopicmass

  • 460.16527

smiles

  • ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@@H]3[C@@H](C(=O)CC(O)C)C(O[C@@]3(C1=O)C)=O

subset

  • 2_STAR

synonym EXACT

  • (6aS,9S,9aS)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-9-(3-hydroxybutanoyl)-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220926

Download this concept:

RDF/XML TURTLE JSON-LD