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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 19alpha-19-hydroxy-3,11-dioxo-12-ursen-28-oic acid
... > 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 > cyclic ketone > alicyclic ketone > cyclohexenones > 19alpha-19-hydroxy-3,11-dioxo-12-ursen-28-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > 19alpha-19-hydroxy-3,11-dioxo-12-ursen-28-oic acid

Preferred term

19alpha-19-hydroxy-3,11-dioxo-12-ursen-28-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H42O5

inchi

  • InChI=1S/C29H42O5/c1-16-7-13-29(24(32)33)14-8-18-17(22(29)28(16,6)34)15-19(30)23-26(18,4)11-9-20-25(2,3)21(31)10-12-27(20,23)5/h15-16,18,20,22-23,34H,7-14H2,1-6H3,(H,32,33)/t16-,18?,20?,22?,23?,26+,27+,28?,29+/m1/s1

inchikey

  • LEDUTIHVUWXGHW-OVFLEQCASA-N

mass

  • 470.650

monoisotopicmass

  • 470.30322

smiles

  • OC1(C2C=3C([C@]4(C([C@@]5(C(CC4)C(C(=O)CC5)(C)C)C)C(=O)C3)C)CC[C@]2(CC[C@H]1C)C(O)=O)C

subset

  • 2_STAR

synonym EXACT

  • (2R,4aR,6bS,12aS)-1-hydroxy-1,2,6b,9,9,12a-hexamethyl-10,13-dioxo-3,4,5,6,6a,6a,7,8,8a,11,12,14b-dodecahydro-2H-picene-4a-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175689

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