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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 > 5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol
... > 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 > 5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol

Preferred term

5alpha,9alpha-epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O4

inchi

  • InChI=1S/C27H42O4/c1-18(2)7-6-8-19(3)21-10-12-25-22(21,4)13-15-26-23(5)11-9-20(28)17-24(23,30-31-26)14-16-27(25,26)29-25/h14,16,18-21,28H,6-13,15,17H2,1-5H3/t19-,20+,21-,22-,23+,24-,25+,26+,27+/m1/s1

inchikey

  • QFGKEMFICOJHFF-NMURLUPSSA-N

mass

  • 430.629

monoisotopicmass

  • 430.30831

smiles

  • O1[C@]23[C@@]14[C@]5(OO[C@]6([C@@]5(CC[C@H](O)C6)C)C=C4)CC[C@@]2([C@](CC3)([C@@H](CCCC(C)C)C)[H])C

subset

  • 2_STAR

synonym EXACT

  • (1S,4S,6S,9R,10R,13S,14S,17S)-10,14-dimethyl-9-[(2R)-6-methylheptan-2-yl]-5,19,20-trioxahexacyclo[11.5.2.01,14.04,6.04,13.06,10]icos-2-en-17-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178594

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