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(+)-11-Acetoxygracline
SpectraBase Compound ID DYVDM8jcTPZ
InChI InChI=1S/C19H19NO5/c1-12(21)25-17-9-20(2)19-6-4-3-5-18(17,19)14-8-16-15(22-11-23-16)7-13(14)10-24-19/h3-8,17H,9-11H2,1-2H3/t17?,18-,19-/m1/s1
InChIKey ZMKJASJBEHWBSJ-OMKBGSMGSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 278kW9lYa6S
Name (+)-11-Acetoxygracline
Alternate Name(s) (1R,13R)-20-methyl-5,7,12-trioxa-20-azapentacyclo[11.4.3.0(1,13).0(2,10).0(4,8)]icosa-2,4(8),9,14,16-pentaen-18-yl acetate
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Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-12(21)25-17-9-20(2)19-6-4-3-5-18(17,19)14-8-16-15(22-11-23-16)7-13(14)10-24-19/h3-8,17H,9-11H2,1-2H3/t17?,18-,19-/m1/s1
InChIKey ZMKJASJBEHWBSJ-OMKBGSMGSA-N
Molecular Weight 341.363 g/mol
SMILES [C@]123[C@](N(C)CC3OC(=O)C)(OCc3c1cc1c(OCO1)c3)C=CC=C2
SPLASH splash10-002f-9170000000-d6c46843d994f54c92a9
Source of Spectrum H1-48-1789-2
Wiley ID 816501