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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 > organic hydroxy compound > phenols > cylindrocyclophane d
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > cylindrocyclophane d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > cylindrocyclophane d
... > 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 aromatic compound > phenols > cylindrocyclophane d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > cylindrocyclophane d

Preferred term

cylindrocyclophane d  

Type

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

Broader concept

charge

  • 0

formula

  • C40H60O8

inchi

  • InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1

inchikey

  • ISFVAVZOVOHZSB-IUWWWGALSA-N

mass

  • 668.912

monoisotopicmass

  • 668.42882

smiles

  • O=C(O[C@H]1C2=CC(O)=C([C@H](CCCC[C@@H]([C@@H](OC(=O)C)C3=CC(=C([C@H](CCCC[C@@H]1C)CCCC)C(O)=C3)O)C)CCCC)C(=C2)O)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218813

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