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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 > 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-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 > cholestanoid > 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one

Preferred term

3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O4

inchi

  • InChI=1S/C27H42O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h10,15,17-20,28,30-31H,6-9,11-14,16H2,1-5H3/t18-,19+,20-,24-,25-,26-,27+/m1/s1

inchikey

  • LWZRFRLSISCLQC-LOVAIWNMSA-N

mass

  • 430.629

monoisotopicmass

  • 430.30831

smiles

  • O[C@@]12[C@@]3([C@](O)(C[C@@H](O)CC3)C(=O)C=C1C=4[C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC2)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,9R,10R,13R,17R)-3,5,9-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178595

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