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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 > 22e, 24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 22e, 24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol
... > 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 > 22e, 24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 22e, 24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 22e, 24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol

Preferred term

22e, 24r-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O5

inchi

  • InChI=1S/C28H46O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,23,29-33H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,23+,24+,25+,26+,27+,28-/m0/s1

inchikey

  • QGNJGKWIOMQCST-BESWQEFHSA-N

mass

  • 462.671

monoisotopicmass

  • 462.33452

smiles

  • O[C@]12C(=C[C@@H](O)[C@@]3([C@@]1(CC[C@@H](C3)O)C)O)[C@@]4(O)[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC4)(C)CC2

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206596

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