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5H-Dibenzo[a,c]cycloheptene-3-carboxylic acid, 5-amino-6,7-dihydro-9,10,11-trimethoxy-, methyl ester, (S)-
SpectraBase Compound ID 90H02tNYut
InChI InChI=1S/C20H23NO5/c1-23-16-10-11-6-8-15(21)14-9-12(20(22)26-4)5-7-13(14)17(11)19(25-3)18(16)24-2/h5,7,9-10,15H,6,8,21H2,1-4H3/t15-/m0/s1
InChIKey OFHCYBGBHHXRTJ-HNNXBMFYSA-N
Mol Weight 357.41 g/mol
Molecular Formula C20H23NO5
Exact Mass 357.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2DDqlU1Whm
Name 5H-Dibenzo[a,c]cycloheptene-3-carboxylic acid, 5-amino-6,7-dihydro-9,10,11-trimethoxy-, methyl ester, (S)-
CAS Registry Number 81573-24-2
Comments Less than 3 mono-isotopic peaks
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Formula C20H23NO5
InChI InChI=1S/C20H23NO5/c1-23-16-10-11-6-8-15(21)14-9-12(20(22)26-4)5-7-13(14)17(11)19(25-3)18(16)24-2/h5,7,9-10,15H,6,8,21H2,1-4H3/t15-/m0/s1
InChIKey OFHCYBGBHHXRTJ-HNNXBMFYSA-N
Molecular Weight 357.406 g/mol
SMILES N[C@@]1(c2c(-c3c(c(OC)c(cc3CC1)OC)OC)ccc(C(=O)OC)c2)[H]
SPLASH splash10-052f-0009000000-a2fedb7fde1e4d9ad15d
Source of Spectrum SB-35-680-0
Synonyms Desacetylallocolchicine methyl (5S)-5-amino-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-3-carboxylate N-Deacetylallocolchicine
Wiley ID 1346478