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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 > carbon group molecular entity > organic molecular entity > 19-oxodesacetylcinobufagin

Preferred term

19-oxodesacetylcinobufagin  

Type

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

Broader concept

charge

  • 0

formula

  • C24H30O6

inchi

  • InChI=1S/C24H30O6/c1-22-8-7-16-17(4-3-14-10-15(26)6-9-23(14,16)12-25)24(22)21(30-24)20(28)19(22)13-2-5-18(27)29-11-13/h2,5,11-12,14-17,19-21,26,28H,3-4,6-10H2,1H3/t14-,15+,16+,17-,19+,20-,21?,22-,23-,24-/m1/s1

inchikey

  • JNBBHUNHDKWCIR-GZQUNXGISA-N

mass

  • 414.498

monoisotopicmass

  • 414.20424

smiles

  • O1[C@@]23[C@@]([C@H]([C@@H](O)C12)C=4C=CC(OC4)=O)(CC[C@H]5[C@H]3CC[C@H]6[C@@]5(CC[C@H](O)C6)C=O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,5R,6R,7R,10S,11R,14S,16R)-5,14-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230557

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