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Substance Name: Oxaline
RN: 55623-37-5
InChIKey: SOHAVULMGIITDH-WNYKETQYSA-N

Note

  • A fungal alkaloid from the culture broth of Penicillium oxalicum.

Molecular Formula

  • C24-H25-N5-O4

Molecular Weight

  • 447.492
 
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Names and Synonyms

Results Name

  • Oxaline

Synonym

  • Oxaline

Systematic Name

  • 1H,5H-Imidazo(1',2':1,2)pyrido(2,3-b)indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propenyl)-7a,12-dihydro-3-(1H-imidazol-4-ylmethylene)-6,12-dimethoxy-, (7aR-(3E,7aR*,12aS*))-

Registry Numbers

CAS Registry Number

  • 55623-37-5

System Generated Number

  • 0055623375

Structure Descriptors

InChI

1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24?/m1/s1

InChIKey

SOHAVULMGIITDH-WNYKETQYSA-N

Smiles

N1[C@@]23[N@](\C(=C\c4[nH]cnc4)C1=O)C(=O)C(=C[C@@]2(c1ccccc1N3OC)C(C=C)(C)C)OC