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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 > fatty acid derivative > icosanoid > prostanoid > steresterone a

Preferred term

steresterone a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O6

inchi

  • InChI=1S/C30H44O6/c1-8-34-26(33)20-13-21(31)18-14-27(20,6)22-10-11-28(7)19(9-12-29(28)30(22,36-29)25(18)32)17(5)24-23(35-24)16(4)15(2)3/h13,15-19,22-25,32H,8-12,14H2,1-7H3/t16-,17+,18-,19-,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1

inchikey

  • OWBPJBQKRVNNBP-NHJUSTAWSA-N

mass

  • 500.676

monoisotopicmass

  • 500.31379

smiles

  • O=C1C=C(C(=O)OCC)[C@]2([C@H]3CC[C@]4([C@@]5([C@@]3([C@@H]([C@@H]1C2)O)O5)CC[C@@H]4[C@@H]([C@@H]6O[C@H]6[C@@H](C(C)C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • ethyl (1R,2R,5R,6R,9R,11R,12R,13S)-12-hydroxy-1,5-dimethyl-6-[(1S)-1-[(2S,3S)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-14-oxo-10-oxapentacyclo[11.3.1.02,11.05,9.09,11]heptadec-15-ene-16-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227992

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