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 > lipid > steroid > cholestanoid > 12beta,16beta,20r-trihydroxy-cholest-1,4-dien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 12beta,16beta,20r-trihydroxy-cholest-1,4-dien-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 12beta,16beta,20r-trihydroxy-cholest-1,4-dien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 12beta,16beta,20r-trihydroxy-cholest-1,4-dien-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 12beta,16beta,20r-trihydroxy-cholest-1,4-dien-3-one

Preferred term

12beta,16beta,20r-trihydroxy-cholest-1,4-dien-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O4

inchi

  • InChI=1S/C27H42O4/c1-16(2)7-6-11-26(4,31)24-22(29)14-21-19-9-8-17-13-18(28)10-12-25(17,3)20(19)15-23(30)27(21,24)5/h10,12-13,16,19-24,29-31H,6-9,11,14-15H2,1-5H3/t19-,20+,21+,22+,23-,24-,25+,26-,27-/m1/s1

inchikey

  • VMYXEDHXCHZEOG-KFXBGMTHSA-N

mass

  • 430.629

monoisotopicmass

  • 430.30831

smiles

  • O[C@H]1[C@]2([C@]([C@]3([C@](C1)([C@@]4(C(CC3)=CC(=O)C=C4)C)[H])[H])(C[C@H](O)[C@@]2([C@](O)(CCCC(C)C)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (8R,9S,10R,12R,13S,14S,16S,17R)-12,16-dihydroxy-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178596

Download this concept:

RDF/XML TURTLE JSON-LD