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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 > childinasterone a
... > 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 > childinasterone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > childinasterone a

Preferred term

childinasterone a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O3

inchi

  • InChI=1S/C28H40O3/c1-18(2)19(3)7-8-20(4)23-10-12-26(31)28(23,6)16-14-24-25(30)11-9-21-17-22(29)13-15-27(21,24)5/h7-9,11,17-20,23-24H,10,12-16H2,1-6H3/b8-7+/t19-,20+,23+,24-,27-,28+/m0/s1

inchikey

  • OWVDUMPVSFNJOO-XLNVFBDASA-N

mass

  • 424.625

monoisotopicmass

  • 424.29775

smiles

  • O=C1C=CC2=CC(=O)CC[C@@]2([C@H]1CC[C@]3(C(=O)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,8aR)-1-[2-[(1R,2R)-2-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-1-methyl-5-oxocyclopentyl]ethyl]-8a-methyl-7,8-dihydro-1H-naphthalene-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215021

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