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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > 23-demethyl 8,13-deoxydemethoxynargenicin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > 23-demethyl 8,13-deoxydemethoxynargenicin
... > 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 heterocyclic compound > oxacycle > 23-demethyl 8,13-deoxydemethoxynargenicin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > 23-demethyl 8,13-deoxydemethoxynargenicin

Preferred term

23-demethyl 8,13-deoxydemethoxynargenicin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H37NO7

inchi

  • InChI=1S/C27H37NO7/c1-13-10-14(2)25(16(4)29)35-27(33)20(30)11-17-7-8-18-12-21(15(3)24(31)23(18)22(13)17)34-26(32)19-6-5-9-28-19/h5-10,14-18,20-25,28-31H,11-12H2,1-4H3/b13-10+/t14-,15+,16-,17-,18+,20+,21+,22?,23-,24-,25+/m1/s1

inchikey

  • XPTOZYIJTVTVIB-MOFSLDSZSA-N

mass

  • 487.593

monoisotopicmass

  • 487.25700

smiles

  • O=C1O[C@@H]([C@@H](C=C(C)C2[C@@H](C[C@@H]1O)C=C[C@H]3C[C@H](OC(=O)C=4NC=CC4)[C@@H]([C@H]([C@@H]23)O)C)C)[C@H](O)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4R,5S,7R,10S,12S,15S,16R,17E)-3,12-dihydroxy-15-[(1R)-1-hydroxyethyl]-4,16,18-trimethyl-13-oxo-14-oxatricyclo[8.8.0.02,7]octadeca-8,17-dien-5-yl] 1H-pyrrole-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216066

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