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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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