Beriberi

Beriberi

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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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