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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 > 3-oxo-7alpha-hydroxycholesterol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3-oxo-7alpha-hydroxycholesterol
... > 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 > 3-oxo-7alpha-hydroxycholesterol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3-oxo-7alpha-hydroxycholesterol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 3-oxo-7alpha-hydroxycholesterol

Preferred term

3-oxo-7alpha-hydroxycholesterol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O2

inchi

  • InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,21-25,29H,6-15H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1

inchikey

  • RHAPOGOMBGUDQA-RQDYSCIWSA-N

mass

  • 400.647

monoisotopicmass

  • 400.33413

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166807

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