chemical compound

AttributesValues
rdf:type
description
  • химическое соединение (ru)
  • chemical compound (en)
  • composé chimique (fr)
  • compositum chemicum (la)
  • chemische Verbindung (de)
  • chemische verbinding (nl)
  • compuestu químicu (ast)
  • хімічна сполука (uk)
  • রাসায়নিক যৌগ (bn)
rdfs:label
  • [(1R,2S,4S,5R,6R,7S,9R)-5-acetyloxy-2-hydroxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoxy]-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] acetate (en)
skos:prefLabel
  • [(1R,2S,4S,5R,6R,7S,9R)-5-acetyloxy-2-hydroxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoxy]-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] acetate (en)
name
  • [(1R,2S,4S,5R,6R,7S,9R)-5-acetyloxy-2-hydroxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoxy]-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] acetate (en)
isomeric SMILES
isomeric SMILES
  • CC(=O)O[C@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)C(C)(C)O3
instance of
instance of
subclass of
subclass of
found in taxon
found in taxon
UniChem compound ID
canonical SMILES
InChI
InChIKey
chemical formula
PubChem CID
PubChem CID
UniChem compound ID
  • 280589
canonical SMILES
  • O=C(OC1CC(O)(C)C23OC(C)(C)C(CC(OCC=CC=4C=CC=CC4)C2(C)C1OC(=O)C)C3)C
InChI
  • InChI=1S/C28H38O7/c1-18(29)33-22-17-26(5,31)28-16-21(25(3,4)35-28)15-23(27(28,6)24(22)34-19(2)30)32-14-10-13-20-11-8-7-9-12-20/h7-13,21-24,31H,14-17H2,1-6H3/b13-10+/t21-,22+,23+,24+,26+,27-,28+/m1/s1
InChIKey
  • GSNXGUOJUUWZMV-LVUNOUHFSA-N
chemical formula
  • C₂₈H₃₈O₇
PubChem CID
  • 44561263
mass
mass
is about of
is main subject of
is main subject of
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