14-O-Acetylsachaconitine

14-O-Acetylsachaconitine

Inquiry
Catalog Number ACM102719982-1
CAS Number 102719-98-2
Structure
IUPAC Name [(2R,3R,4S,5R,6S,8S,9S,10R,13R,16S,17R)-11-Ethyl-8-hydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Molecular Weight 433.6
Molecular Formula C25H39NO5
Canonical SMILES CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)OC)C
InChI InChI=1S/C25H39NO5/c1-6-26-12-23(3)8-7-19(30-5)25-15-9-14-17(29-4)11-24(28,16(22(25)26)10-18(23)25)20(15)21(14)31-13(2)27/h14-22,28H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25?/m1/s1
InChI Key VYNDUGHWSKLKFB-UHJCDWJLSA-N
Purity 98%+
Storage Store in dry, low temperature, sealed, 2-8 °C.
Complexity 790
Exact Mass 433.28282334
Heavy Atom Count 31
Isomeric SMILES CCN1C[C@@]2(CC[C@@H](C34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)OC)C
Monoisotopic Mass 433.28282334
Topological Polar Surface Area 68.2Ų

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