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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 > organic hydroxy compound > alcohol > tertiary alcohol > caldorin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > caldorin

Preferred term

caldorin  

Type

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

Broader concept

charge

  • 0

formula

  • C19H31NO2

inchi

  • InChI=1S/C19H31NO2/c1-4-11-19(22)12-9-15-7-5-6-8-16(15)17(19)18(21)20-13-10-14(2)3/h5-6,9,12,14-17,22H,4,7-8,10-11,13H2,1-3H3,(H,20,21)/t15-,16-,17-,19-/m0/s1

inchikey

  • PLVLPRNEONNYSF-DWRORGKVSA-N

mass

  • 305.462

monoisotopicmass

  • 305.23548

smiles

  • O=C(NCCC(C)C)[C@H]1[C@@](O)(C=C[C@H]2[C@@H]1CC=CC2)CCC

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,4aS,8aS)-2-hydroxy-N-(3-methylbutyl)-2-propyl-4a,5,8,8a-tetrahydro-1H-naphthalene-1-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217869

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