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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,9alpha,14alpha-trihydroxy-(22e,24r)-ergost-22-en-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,9alpha,14alpha-trihydroxy-(22e,24r)-ergost-22-en-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 > 3beta,9alpha,14alpha-trihydroxy-(22e,24r)-ergost-22-en-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,9alpha,14alpha-trihydroxy-(22e,24r)-ergost-22-en-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,9alpha,14alpha-trihydroxy-(22e,24r)-ergost-22-en-7-one

Preferred term

3beta,9alpha,14alpha-trihydroxy-(22e,24r)-ergost-22-en-7-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O4

inchi

  • InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)22-10-12-27(31)24-23(30)16-20-15-21(29)9-11-25(20,5)28(24,32)14-13-26(22,27)6/h7-8,17-22,24,29,31-32H,9-16H2,1-6H3/b8-7+/t18-,19?,20?,21-,22-,24?,25-,26+,27+,28+/m0/s1

inchikey

  • HYGBHWPLEUKJIK-LUMGQHEXSA-N

mass

  • 446.672

monoisotopicmass

  • 446.33961

smiles

  • O=C1C2[C@@](O)([C@]3(CC[C@@H](CC3C1)O)C)CC[C@]4([C@@]2(O)CC[C@H]4C(/C=C/[C@@H](C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,9R,10S,13R,14R,17S)-17-[(E,5R)-5,6-dimethylhept-3-en-2-yl]-3,9,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218628

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