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Catalog Number | ACM82354389 |
CAS Number | 82354-38-9 |
Synonyms | Gelsenicine |
IUPAC Name | (1R,2S,4S,7R,8S)-6-Ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one |
Molecular Weight | 326.39 |
Molecular Formula | C19H22N2O3 |
Canonical SMILES | CCC1=NC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC |
InChI | InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1 |
InChI Key | BIGABVPVCRHEES-NWPJSNQLSA-N |
Purity | 98%+ (HPLC) |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 591 |
Exact Mass | 326.16304257 |
Heavy Atom Count | 24 |
Isomeric SMILES | CCC1=N[C@H]2C[C@@]3([C@H]4C[C@@H]1[C@@H]2CO4)C5=CC=CC=C5N(C3=O)OC |
Monoisotopic Mass | 326.16304257 |
Topological Polar Surface Area | 51.1Ų |
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