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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,6alpha-epoxy-(22e)-ergosta-8,14, 22-triene-3beta,7alpha-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha,6alpha-epoxy-(22e)-ergosta-8,14, 22-triene-3beta,7alpha-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 > ergostanoid > 5alpha,6alpha-epoxy-(22e)-ergosta-8,14, 22-triene-3beta,7alpha-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha,6alpha-epoxy-(22e)-ergosta-8,14, 22-triene-3beta,7alpha-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 5alpha,6alpha-epoxy-(22e)-ergosta-8,14, 22-triene-3beta,7alpha-diol

Preferred term

5alpha,6alpha-epoxy-(22e)-ergosta-8,14, 22-triene-3beta,7alpha-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H42O3

inchi

  • InChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,24-,25-,26+,27+,28-/m0/s1

inchikey

  • USHMBEFGKMCIBD-AAXQUGDCSA-N

mass

  • 426.641

monoisotopicmass

  • 426.31340

smiles

  • O1[C@]23[C@@](C=4CC[C@]5(C(C4[C@@H]([C@H]12)O)=CC[C@@H]5[C@@H](/C=C/[C@@H](C(C)C)C)C)C)(CC[C@@H](C3)O)C

subset

  • 2_STAR

synonym EXACT

  • (2R,5S,7R,9S,10S,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-1(11),12-diene-5,10-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210909

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