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Acetylcorynoline

CAT: 1410-M18162-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M18162-07Size:100 mg
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Description
Acetylcorynoline may be one of the potent immunosuppressive agents through the blockage of dendritic cells maturation and function.
CAS Number
18797-80-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
409.43
Molecular Formula
C23H23NO6
Notes
Research use only, not for human use.
Receptor
Antifungal

Chemical Information

Acetylcorynoline

Acetylcorynoline is a benzophenanthridine alkaloid.

CAS Number18797-80-3
PubChem CID177015
IUPAC Name[(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate
Molecular FormulaC23H23NO6
Molecular Weight409.4
XLogP3.3
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity703
SMILES
CC(=O)O[C@H]1CC2=CC3=C(C=C2[C@@H]4[C@]1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
InChI
InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1
InChIKey
PUHCFWFODBLSAP-WWNPGLIZSA-N
Chemical Structure
2D Structure
2D structure of Acetylcorynoline
CAS: 18797-80-3
CID: 177015
Formula: C23H23NO6
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass409.15253745
Monoisotopic Mass409.15253745
Topological Polar Surface Area66.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes