skip to main content

Chemistry, part 2

Content language

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

Concept information

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C25H42O6

inchi

  • InChI=1S/C25H42O6/c1-15(2)9-20(29)31-19-6-7-23(4)21(22(19,3)13-26)18(28)10-17-12-25(30,14-27)16-5-8-24(17,23)11-16/h15-19,21,26-28,30H,5-14H2,1-4H3/t16-,17-,18+,19+,21+,22+,23+,24-,25-/m0/s1

inchikey

  • SISDWSWQMNJRHZ-FLYLZWCYSA-N

mass

  • 438.605

monoisotopicmass

  • 438.29814

smiles

  • O[C@]1([C@@]2(C[C@@]3([C@]4([C@@]([C@@]([C@H](OC(=O)CC(C)C)CC4)(CO)C)([C@H](O)C[C@]3(C1)[H])[H])C)CC2)[H])CO

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,5R,6R,7S,8R,10S,12R,13S)-8,12-dihydroxy-6,12-bis(hydroxymethyl)-2,6-dimethyl-5-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169554

Download this concept:

RDF/XML TURTLE JSON-LD