skip to main content

Chemistry, part 1

Content language

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

Concept information

organooxygen compound > ester > carboxylic ester > cyclohexanecarboxylate ester > o-(cyclohexanecarbonyl)lysergol
organooxygen compound > carbonyl compound > carboxylic ester > cyclohexanecarboxylate ester > o-(cyclohexanecarbonyl)lysergol

Preferred term

o-(cyclohexanecarbonyl)lysergol  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28N2O2

has_parent_hydride

inchi

  • InChI=1S/C23H28N2O2/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25/h5,8-10,12,15-16,21,24H,2-4,6-7,11,13-14H2,1H3/t15-,21-/m1/s1

inchikey

  • NHINDOWVGVTFBF-QVKFZJNVSA-N

mass

  • 364.48060

monoisotopicmass

  • 364.21508

smiles

  • [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](COC(=O)C1CCCCC1)CN2C)c34

subset

  • 3_STAR

synonym EXACT

  • (6-methyl-9,10-didehydroergolin-8beta-yl)methyl cyclohexanecarboxylate

synonym RELATED

  • O-cyclohexanoyl-lysergol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60527

Download this concept:

RDF/XML TURTLE JSON-LD