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

Preferred term

3-hydroxyl-(22e, 24r)-ergosta-5,8,14,22-tetraen-7-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O2

inchi

  • InChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,10,16-19,21-22,29H,9,11-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,27-,28+/m0/s1

inchikey

  • DKQZQDPIMDUDSP-VKAJVSLQSA-N

mass

  • 408.626

monoisotopicmass

  • 408.30283

smiles

  • O=C1C2=C([C@]3(CC[C@@H](CC3=C1)O)C)CC[C@]4(C2=CC[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207485

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