4-Epitetracycline

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Systematic / IUPAC Name: (4R,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide

ID: Reference4887

Other Names: Epitetracycline;
(4R,4aS,5aS,6S,12aS)-1,4,4a,5,5a,6,11,12a-Octahydro-3,6,10,12,12a-pentahydroxy-4-(dimethylamino)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide;
(4R,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide;
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-4-(dimethylamino)-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)-;
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)-

Formula: C22H24N2O8

Class: Endogenous Metabolites Therapeutics/Prescription Drugs

Spectral Data

4-Epitetracycline 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/20/2016 8:17:32 AM
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Identificators

InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15+,21+,22-/m0/s1
InChI Key OFVLGDICTFRJMM-PMXORCKASA-N
Canonical SMILES C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O
CAS
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Other Names Epitetracycline;
(4R,4aS,5aS,6S,12aS)-1,4,4a,5,5a,6,11,12a-Octahydro-3,6,10,12,12a-pentahydroxy-4-(dimethylamino)-6-methyl-1,11-dioxo-2-naphthacenecarboxamide;
(4R,4aS,5aS,6S,12aS)-4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide;
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-4-(dimethylamino)-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)-;
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)-

In Other Databases

ChEMBL CHEMBL1236180
ChemSpider 16739525