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N-Acetyl-Dioncophylline A

View entire compound with spectra: 1 MS (GC)

N-Acetyl-Dioncophylline A
SpectraBase Compound ID 9ZfQVqHt7ZV
InChI InChI=1S/C26H29NO4/c1-14-12-22(31-6)25-19(8-7-9-21(25)30-5)23(14)20-11-10-18-13-15(2)27(17(4)28)16(3)24(18)26(20)29/h7-12,15-16,29H,13H2,1-6H3/t15-,16-/m1/s1
InChIKey UZUMFHYHEXNNOD-HZPDHXFCSA-N
Mol Weight 419.52 g/mol
Molecular Formula C26H29NO4
Exact Mass 419.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SHPpBNvma
Name N-Acetyl-Dioncophylline A
Alternate Name(s) 1-[(1R,3R)-7-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-8-hydroxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone 1-[(1R,3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-hydroxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone 1-[(1R,3R)-7-(4,5-dimethoxy-2-methyl-naphthalen-1-yl)-1,3-dimethyl-8-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
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Formula C26H29NO4
InChI InChI=1S/C26H29NO4/c1-14-12-22(31-6)25-19(8-7-9-21(25)30-5)23(14)20-11-10-18-13-15(2)27(17(4)28)16(3)24(18)26(20)29/h7-12,15-16,29H,13H2,1-6H3/t15-,16-/m1/s1
InChIKey UZUMFHYHEXNNOD-HZPDHXFCSA-N
Molecular Weight 419.521 g/mol
SMILES Oc1c(-c2c3c(c(OC)ccc3)c(cc2C)OC)ccc2C[C@](N([C@@](c12)(C)[H])C(=O)C)(C)[H]
SPLASH splash10-0j4i-0004900000-79b27dff73e269a00c31
Source of Spectrum G4-60-344-3
Wiley ID 1606661