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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 > 5alpha-ergost-22e-en-3alpha,12alpha,16alpha-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha-ergost-22e-en-3alpha,12alpha,16alpha-triol
... > 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 > 5alpha-ergost-22e-en-3alpha,12alpha,16alpha-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha-ergost-22e-en-3alpha,12alpha,16alpha-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha-ergost-22e-en-3alpha,12alpha,16alpha-triol

Preferred term

5alpha-ergost-22e-en-3alpha,12alpha,16alpha-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H48O3

inchi

  • InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h7-8,16-26,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1

inchikey

  • NJXFGFILMQEWFG-IIUCPLJKSA-N

mass

  • 432.689

monoisotopicmass

  • 432.36035

smiles

  • O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(C[C@@H](O)[C@@]2([C@H](C)/C=C/[C@@H](C(C)C)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (3R,5S,8R,9S,10S,12S,13S,14S,16R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12,16-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186651

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