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Chemistry, part 2

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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 > steroid > ergostanoid > 3beta-hydroxyl-(22e, 24r)-ergosta-5,8(14),22-trien-7,15-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta-hydroxyl-(22e, 24r)-ergosta-5,8(14),22-trien-7,15-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 > ergostanoid > 3beta-hydroxyl-(22e, 24r)-ergosta-5,8(14),22-trien-7,15-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta-hydroxyl-(22e, 24r)-ergosta-5,8(14),22-trien-7,15-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta-hydroxyl-(22e, 24r)-ergosta-5,8(14),22-trien-7,15-dione

Preferred term

3beta-hydroxyl-(22e, 24r)-ergosta-5,8(14),22-trien-7,15-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O3

inchi

  • InChI=1S/C28H40O3/c1-16(2)17(3)7-8-18(4)22-15-24(31)26-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h7-8,14,16-18,20-22,29H,9-13,15H2,1-6H3/b8-7+/t17-,18+,20-,21-,22+,27-,28+/m0/s1

inchikey

  • UHHQPKKABSPLSY-LOSNMUTHSA-N

mass

  • 424.625

monoisotopicmass

  • 424.29775

smiles

  • O=C1C2=C3C(=O)C[C@@H]([C@]3(CC[C@@H]2[C@]4(CC[C@@H](CC4=C1)O)C)C)[C@@H](/C=C/[C@@H](C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-7,15-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205191

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