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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer
organooxygen compound > ester > lactone > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > 13-demethoxy-ascomycin 9,14-hemiacetal isomer

Preferred term

13-demethoxy-ascomycin 9,14-hemiacetal isomer  

Type

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

Broader concept

charge

  • 0

formula

  • C42H67NO11

inchi

  • InChI=1S/C42H67NO11/c1-9-30-19-24(2)18-25(3)20-37(52-8)35-16-13-26(4)39(47)42(50,54-35)41(49)43-17-11-10-12-31(43)40(48)53-38(28(6)33(45)23-34(30)46)27(5)21-29-14-15-32(44)36(22-29)51-7/h19,21,25-26,28-33,35-38,44-45,50H,9-18,20,22-23H2,1-8H3/b24-19-,27-21+/t25-,26+,28+,29-,30+,31-,32+,33-,35-,36+,37-,38+,42+/m0/s1

inchikey

  • NOYTXVAWZVPQJU-WISUOGQLSA-N

mass

  • 761.994

monoisotopicmass

  • 761.47141

smiles

  • O=C1N2[C@H](C(=O)O[C@H](/C(=C/[C@H]3C[C@@H](OC)[C@H](O)CC3)/C)[C@@H]([C@@H](O)CC(=O)[C@H](CC)C=C(C[C@@H](C[C@@H]([C@H]4O[C@]1(O)C(=O)[C@@H](CC4)C)OC)C)C)C)CCCC2

subset

  • 2_STAR

synonym EXACT

  • (1R,8S,11S,12R,13S,16R,17Z,20S,22S,23S,26R)-16-ethyl-1,13-dihydroxy-11-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-22-methoxy-12,18,20,26-tetramethyl-10,28-dioxa-3-azatricyclo[21.4.1.03,8]octacos-17-ene-2,9,15,27-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200516

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