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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > tetrahydrobisvertinolone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > tetrahydrobisvertinolone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > tetrahydrobisvertinolone

Preferred term

tetrahydrobisvertinolone  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36O9

inchi

  • InChI=1S/C28H36O9/c1-7-9-11-13-16(29)18-20(31)15(3)22(32)26(5)21(18)25(4)23(33)19(17(30)14-12-10-8-2)24(34)27(6,35)28(25,36)37-26/h7-10,21,31-33,35-36H,11-14H2,1-6H3/b9-7+,10-8+/t21-,25-,26+,27+,28-/m1/s1

inchikey

  • FEQQKMZNFKCWST-QCNVSJCTSA-N

mass

  • 516.587

monoisotopicmass

  • 516.23593

smiles

  • O=C1C(=C(O)[C@]2([C@H]3C(=C(O)C(=C([C@]3(O[C@]2([C@]1(O)C)O)C)O)C)C(=O)CC/C=C/C)C)C(=O)CC/C=C/C

subset

  • 2_STAR

synonym EXACT

  • (4S,4aR,5aS,9aR,9bR)-2,9-bis[(E)-hex-4-enoyl]-1,4,4a,6,8-pentahydroxy-4,5a,7,9b-tetramethyl-9aH-dibenzouran-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209462

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