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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 > steroid > cholestanoid > cholesta-5,7-dien-3beta,4alpha-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > cholesta-5,7-dien-3beta,4alpha-diol
... > 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 > cholestanoid > cholesta-5,7-dien-3beta,4alpha-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > cholesta-5,7-dien-3beta,4alpha-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > cholesta-5,7-dien-3beta,4alpha-diol

Preferred term

cholesta-5,7-dien-3beta,4alpha-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O2

inchi

  • InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h9-10,17-18,20-22,24-25,28-29H,6-8,11-16H2,1-5H3/t18-,20-,21+,22+,24+,25+,26-,27-/m1/s1

inchikey

  • ARJBYZCJCNTGQM-XQCWDQNDSA-N

mass

  • 400.647

monoisotopicmass

  • 400.33413

smiles

  • O[C@H]1C=2[C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])=CC2)[H])(CC[C@@H]1O)C

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172985

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