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Concept information

Preferred term

تتراهیدروآلستونین (1+)  

Type

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

charge

  • +1

formula

  • C21H25N2O3

inchi

  • InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/p+1/t12-,15-,16-,19-/m0/s1

inchikey

  • GRTOGORTSDXSFK-DLLGKBFGSA-O

mass

  • 353.436

monoisotopicmass

  • 353.18597

smiles

  • C=1C=CC=2NC=3[C@]4([NH+](CCC3C2C1)C[C@@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H]

subset

  • 3_STAR

synonym EXACT

  • (19alpha,20alpha)-16-(methoxycarbonyl)-19-methyl-16,17-didehydro-18-oxayohimban-4-ium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:142526

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