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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 > lipid > steroid > cholestanoid > 3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-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 > 3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one

Preferred term

3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H46O4

inchi

  • InChI=1S/C27H46O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-21,23-24,28,30-31H,6-15H2,1-5H3/t16-,17+,18-,19-,20+,21+,23+,24+,26+,27-/m1/s1

inchikey

  • CEGKKENOGCRSLA-CPOXXCQMSA-N

mass

  • 434.661

monoisotopicmass

  • 434.33961

smiles

  • O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3=O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCCC(O)(C)C)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166743

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