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Catalog Number | ACM2086831-1 |
CAS Number | 2086-83-1 |
Structure | ![]() |
Synonyms | Umbellatine |
IUPAC Name | 16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene |
Molecular Weight | 336.36 |
Molecular Formula | C20H18NO4 |
Canonical SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
InChI | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 |
InChI Key | YBHILYKTIRIUTE-UHFFFAOYSA-N |
Purity | 98%+ (HPLC) |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 488 |
Exact Mass | 336.12358306 |
Heavy Atom Count | 25 |
Monoisotopic Mass | 336.12358306 |
Topological Polar Surface Area | 40.8Ų |
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