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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > (1r,13s,14e,19s,21s)-10-[(1r,12s,13r,14e,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > (1r,13s,14e,19s,21s)-10-[(1r,12s,13r,14e,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one

Preferred term

(1r,13s,14e,19s,21s)-10-[(1r,12s,13r,14e,17r,19s,21s)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one  

Type

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

Broader concept

charge

  • 0

formula

  • C42H42N4O3

inchi

  • InChI=1S/C42H42N4O3/c1-2-23-22-44-34(20-42-31-8-4-5-9-32(31)45-37(48)12-11-25(38(42)45)26(23)19-36(42)44)29-17-28-27-18-35-41(14-15-43(35)21-24(27)13-16-47)30-7-3-6-10-33(30)46(39(28)41)40(29)49/h2-13,17,25-27,29,34-36,38-39,47H,14-16,18-22H2,1H3/b23-2-,24-13-/t25-,26-,27-,29?,34+,35-,36-,38-,39-,41+,42+/m0/s1

inchikey

  • AJUAZNUVBAVUAY-INLXSERXSA-N

mass

  • 650.823

monoisotopicmass

  • 650.32569

smiles

  • O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)C/C(/[C@@](C3=CC1[C@@]6(N7[C@@]8([C@@]9([C@]%10(N(C=%11C9=CC=CC%11)C(=O)C=C[C@]%10([C@@](C8)(/C(/C7)=C/C)[H])[H])[H])C6)[H])[H])(C5)[H])=C/CO)[H])C=%12C2=CC=CC%12)[H]

subset

  • 2_STAR

synonym EXACT

  • (1R,13S,14E,19S,21S)-10-[(1R,12S,13R,14E,17R,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-17-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181349

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