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2H-Pyrano[3',2':5,6][1,4]dioxino[2,3-c]pyridine-7-carboxaldehyde, 3,4,4a,10a-tetrahydro-4-hydroxy-3,4a-dimethoxy-2-methyl-9-(2-pyridinyl)-, oxime, [2S-[2.alpha.,3.beta.,4.alpha.,4a.alpha.,7(E),10a.alpha.]]-
SpectraBase Compound ID 3MsXUNCC2EX
InChI InChI=1S/C19H21N3O7/c1-10-15(25-2)17(23)19(26-3)18(27-10)28-16-13(29-19)8-11(9-21-24)22-14(16)12-6-4-5-7-20-12/h4-10,15,17-18,23-24H,1-3H3/b21-9+/t10-,15-,17+,18-,19-/m0/s1
InChIKey DFSOBOMFQVOJDJ-NEYUUGGFSA-N
Mol Weight 403.39 g/mol
Molecular Formula C19H21N3O7
Exact Mass 403.13795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4fCbtUxl7M
Name 2H-Pyrano[3',2':5,6][1,4]dioxino[2,3-c]pyridine-7-carboxaldehyde, 3,4,4a,10a-tetrahydro-4-hydroxy-3,4a-dimethoxy-2-methyl-9-(2-pyridinyl)-, oxime, [2S-[2.alpha.,3.beta.,4.alpha.,4a.alpha.,7(E),10a.alpha.]]-
CAS Registry Number 67819-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O7
InChI InChI=1S/C19H21N3O7/c1-10-15(25-2)17(23)19(26-3)18(27-10)28-16-13(29-19)8-11(9-21-24)22-14(16)12-6-4-5-7-20-12/h4-10,15,17-18,23-24H,1-3H3/b21-9+/t10-,15-,17+,18-,19-/m0/s1
InChIKey DFSOBOMFQVOJDJ-NEYUUGGFSA-N
Molecular Weight 403.391 g/mol
SMILES O\N=C\c1nc(c2O[C@]3([C@]([C@@]([C@]([C@@](O3)(C)[H])(OC)[H])(O)[H])(Oc2c1)OC)[H])-c1ncccc1
SPLASH splash10-0fl0-9177100000-6d2265e94bd891cdb6f2
Source of Spectrum I-56-1842-0
Synonyms 4-Hydroxy-3,4a-dimethoxy-2-methyl-9-(2-pyridinyl)-3,4,4a,10a-tetrahydro-2H-pyrano[3',2':5,6][1,4]dioxino[2,3-c]pyridine-7-carbaldehyde oxime Caerulomycin D
Wiley ID 1370814