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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione
... > 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 > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > oxo steroid > 20-oxo steroid > 3alpha-hydroxy-7-ene-6,20-dione

Preferred term

3alpha-hydroxy-7-ene-6,20-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O3

inchi

  • InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h11,13,15-18,23H,4-10H2,1-3H3/t13-,15-,16+,17+,18-,20-,21-/m1/s1

inchikey

  • ITQQYFJOUPZZSQ-RNXNTLDPSA-N

mass

  • 330.468

monoisotopicmass

  • 330.21949

smiles

  • O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3C(=O)C)C)[C@@]4([C@@H]1C[C@H](O)CC4)C

subset

  • 2_STAR

synonym EXACT

  • (3R,5S,9R,10R,13S,14R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220788

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