Meleagrin

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Systematic / IUPAC Name: (3E,7aR,12aS)-6-Hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione

ID: Reference6182

Other Names: (7aR,12aS,E)-3-[(1H-Imidazol-5-yl)methylene]-6-hydroxy-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydroimidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(1H,3H)-dione ;
1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-, (3E,7aR,12aS)-

Formula: C23H23N5O4

Class: Natural Toxins

Spectral Data

Meleagrin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 3739
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8, MS9
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/19/2016 8:27:37 AM
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Identificators

InChI InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1
InChI Key JTJJJLSLKZFEPJ-ZAYCRUKZSA-N
Canonical SMILES CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)O
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Other Names (7aR,12aS,E)-3-[(1H-Imidazol-5-yl)methylene]-6-hydroxy-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydroimidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(1H,3H)-dione ;
1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-, (3E,7aR,12aS)-

In Other Databases

ChemSpider 23510990
PubChem 23728435
Wikipedia Meleagrin