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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 11-oxo steroid > emesterone b
... > 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 > 11-oxo steroid > emesterone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > 11-oxo steroid > emesterone b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > oxo steroid > 11-oxo steroid > emesterone b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 11-oxo steroid > emesterone b
... > 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 > 11-oxo steroid > emesterone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 11-oxo steroid > emesterone b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > oxo steroid > 11-oxo steroid > emesterone b

Preferred term

emesterone b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H38O4

inchi

  • InChI=1S/C28H38O4/c1-15(2)16(3)25(31)20-13-27-14-24(30)28(32)23(22(27)9-8-21(27)17(20)4)7-6-18-12-19(29)10-11-26(18,28)5/h6-7,12,15-17,20-21,25,31-32H,8-11,13-14H2,1-5H3/t16-,17-,20-,21-,25+,26+,27+,28-/m1/s1

inchikey

  • HABXKYDQGLNXEF-MTSSWDBBSA-N

mass

  • 438.608

monoisotopicmass

  • 438.27701

smiles

  • O=C1C=C2C=CC3=C4[C@]5([C@@H]([C@H](C)[C@@H](C5)[C@@H](O)[C@@H](C(C)C)C)CC4)CC([C@]3([C@@]2(C)CC1)O)=O

subset

  • 2_STAR

synonym EXACT

  • (5R,6S,7R,9S,12R,13S)-12-hydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,17,19-triene-11,16-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202316

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