Strychnidin-10-one,...

Strychnidin-10-one,16-hydroxy-2,3-dimethoxy-(CAS No. 560-30-5)

Strychnidin-10-one,16-hydroxy-2,3-dimethoxy-(CAS No. 560-30-5)

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  • Purity: 99%
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Keywords

Strychnidin-10-one,16-hydroxy-2,3-dimethoxy- 560-30-5 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
Strychnidin-10-one,16-hydroxy-2,3-dimethoxy-
【Iupac name】
5a-hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,
6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
【CAS Registry number】
560-30-5
【Synonyms】
Pseudobrucine(6CI,8CI)
16-Hydroxybrucine
NSC 99794
y-Brucine
【Molecular Formula】
C23H26 N2 O5 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3
【Canonical SMILES】
COC1=C(C=C2C(=C1)C34CCN5C3(CC6C7C4N2C(=O)CC7OCC=C6C5)O)OC
Chemical and Physical Properties
【Density】
1.49g/cm3
【Boiling Point】
671.4°Cat760mmHg
【Refractive Index】
1.708
【Flash Point】
359.9°C
【Computed Properties】
Molecular Weight:410.46294 [g/mol]
Molecular Formula:C23H26N2O5
XLogP3:1.8
H-Bond Donor:1
H-Bond Acceptor:6
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:410.184172
MonoIsotopic Mass:410.184172
Topological Polar Surface Area:71.5
Heavy Atom Count:30
Formal Charge:0
Complexity:832
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

 

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