19-Epi-scholaricine

19-Epi-scholaricine

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Catalog Number ACM132923069
CAS Number 132923-06-9
IUPAC Name Methyl (1R,11S,12R,17S)-6-hydroxy-12-[(1R)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Molecular Weight 356.42
Molecular Formula C20H24N2O4
Canonical SMILES CC(C1CN2CCC34C2CC1C(=C3NC5=C4C=CC=C5O)C(=O)OC)O
InChI InChI=1S/C20H24N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,10-12,15,21,23-24H,6-9H2,1-2H3/t10-,11+,12-,15+,20-/m1/s1
InChI Key GNCUCBQZLQLSOF-XKEDNIFDSA-N
Purity 98%+ (HPLC)
Storage Store in dry, low temperature, sealed, 2-8 °C.
Complexity 664
Exact Mass 356.17360725
Heavy Atom Count 26
Isomeric SMILES C[C@H]([C@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=CC=C5O)C(=O)OC)O
Monoisotopic Mass 356.17360725
Topological Polar Surface Area 82Ų

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