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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 > isoprenoid > terpenoid > diterpenoid > 19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol

Preferred term

19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C25H42O5

inchi

  • InChI=1S/C25H42O5/c1-16(2)10-20(28)30-15-22(3)7-5-8-23(4)21(22)19(27)11-18-13-25(29,14-26)17-6-9-24(18,23)12-17/h16-19,21,26-27,29H,5-15H2,1-4H3/t17-,18-,19+,21+,22-,23+,24-,25-/m0/s1

inchikey

  • FNQCDBBIWXCSFD-VURRPJPOSA-N

mass

  • 422.606

monoisotopicmass

  • 422.30322

smiles

  • O[C@]1([C@@]2(C[C@@]3([C@]4([C@]([C@H](O)C[C@]3(C1)[H])([C@@](CCC4)(COC(=O)CC(C)C)C)[H])C)CC2)[H])CO

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,6R,7S,8R,10S,12R,13S)-8,12-dihydroxy-12-(hydroxymethyl)-2,6-dimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadecanyl]methyl 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194566

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