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

Preferred term

deoxyparguerol  

Type

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

Broader concept

charge

  • 0

formula

  • C22H33BrO5

inchi

  • InChI=1S/C22H33BrO5/c1-12(25)28-17-10-21(3)14-4-6-20(2,19(23)11-24)9-13(14)16(26)8-18(21)22(27)7-5-15(17)22/h4,13,15-19,24,26-27H,5-11H2,1-3H3/t13-,15+,16-,17-,18+,19?,20+,21+,22-/m0/s1

inchikey

  • GQGQFMYAQIAQJH-ACJJBJFWSA-N

mass

  • 457.405

monoisotopicmass

  • 456.15114

smiles

  • BrC([C@@]1(CC=C2[C@@]3([C@H]([C@@]4(O)[C@H](CC4)[C@H](C3)OC(=O)C)C[C@@H]([C@H]2C1)O)C)C)CO

subset

  • 2_STAR

synonym EXACT

  • [(1S,5R,7S,8S,10R,11R,14R,15S)-5-(1-bromo-2-hydroxyethyl)-8,11-dihydroxy-1,5-dimethyl-15-tetracyclo[8.6.0.02,7.011,14]hexadec-2-enyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204121

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