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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 > isoprenoid > terpenoid > sesquiterpenoid > calicoferol d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > calicoferol d

Preferred term

calicoferol d  

Type

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

Broader concept

charge

  • 0

formula

  • C28H42O2

inchi

  • InChI=1S/C28H42O2/c1-18(2)7-8-19(3)21(5)25-13-14-26-24(27(30)15-16-28(25,26)6)12-10-22-17-23(29)11-9-20(22)4/h8-9,11,17-18,21,24-26,29H,7,10,12-16H2,1-6H3/b19-8+/t21-,24?,25-,26+,28-/m1/s1

inchikey

  • VCPSCMZUIRKCJL-HOCQEXNISA-N

mass

  • 410.642

monoisotopicmass

  • 410.31848

smiles

  • O=C1C([C@]2([C@@]([C@](CC2)([C@@H](/C(/C)=C/CC(C)C)C)[H])(CC1)C)[H])CCC3=C(C=CC(O)=C3)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3aS,7aR)-1-[(E,2S)-3,6-dimethylhept-3-en-2-yl]-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180195

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