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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > pestalofone b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalofone b
... > 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 heterocyclic compound > oxacycle > pestalofone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > pestalofone b

Preferred term

pestalofone b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H42O6

inchi

  • InChI=1S/C32H42O6/c1-17(2)8-10-31-26(35)22(14-24(33)27(31)37-31)21-13-20(7)15-30(23(21)12-19(5)6)16-25(34)28-32(38-28,29(30)36)11-9-18(3)4/h8-9,12-13,24-28,33-35H,5,10-11,14-16H2,1-4,6-7H3/b22-21+,23-12-/t24-,25-,26+,27-,28-,30+,31+,32-/m0/s1

inchikey

  • GMNIUJUEVAPRMH-OLTDJHSXSA-N

mass

  • 522.682

monoisotopicmass

  • 522.29814

smiles

  • O=C1[C@@]2(/C(/C(=C/3/[C@@H](O)[C@]4(O[C@H]4[C@H](C3)O)CC=C(C)C)/C=C(C2)C)=C/C(=C)C)C[C@H](O)[C@H]5[C@@]1(O5)CC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,3'E,4'Z,5S,6S)-3'-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]-5-hydroxy-1'-methyl-1-(3-methylbut-2-enyl)-4'-(2-methylprop-2-enylidene)spiro[7-oxabicyclo[4.1.0]heptane-3,5'-cyclohexene]-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207697

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