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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 > ergosta-7,22-diene-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosta-7,22-diene-3-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 > ergosta-7,22-diene-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosta-7,22-diene-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosta-7,22-diene-3-one

Preferred term

ergosta-7,22-diene-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O

inchi

  • InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-21,24-26H,9,11-17H2,1-6H3/t19?,20-,21?,24-,25+,26+,27+,28-/m1/s1

inchikey

  • AHWOEMBXZXGDBQ-LYDJHEMHSA-N

mass

  • 396.659

monoisotopicmass

  • 396.33922

smiles

  • O=C1CC2[C@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](C=CC(C(C)C)C)C)CC4)(C)CC3)=CC2)(C)CC1

subset

  • 2_STAR

synonym EXACT

  • (9R,10S,13R,14R,17R)-17-[(2R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203009

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