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Alstonidine

CAT: 0931-T29911-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29911-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25394-75-6
Target
Others
Related Pathways
Others
Bioactivity
Alstonidine is a biochemical.
Smiles
C(C1=C2C(C=3C(N2C)=CC=CC3)=CC=N1)[C@@H]4C(C(OC)=O)=CO[C@@H](C)[C@@H]4CO
Molecular Formula
C22H24N2O4
Molecular Weight
380.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alstonidine

alstonidine has been reported in Alstonia constricta with data available.

CAS Number25394-75-6
PubChem CID12305773
IUPAC Namemethyl (2S,3S,4S)-3-(hydroxymethyl)-2-methyl-4-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-3,4-dihydro-2H-pyran-5-carboxylate
Molecular FormulaC22H24N2O4
Molecular Weight380.4
XLogP2.5
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity609
SMILES
C[C@H]1[C@@H]([C@@H](C(=CO1)C(=O)OC)CC2=NC=CC3=C2N(C4=CC=CC=C34)C)CO
InChI
InChI=1S/C22H24N2O4/c1-13-17(11-25)16(18(12-28-13)22(26)27-3)10-19-21-15(8-9-23-19)14-6-4-5-7-20(14)24(21)2/h4-9,12-13,16-17,25H,10-11H2,1-3H3/t13-,16-,17-/m0/s1
InChIKey
ZHSWZGYEMVSUSM-JQFCIGGWSA-N
Chemical Structure
2D Structure
2D structure of Alstonidine
CAS: 25394-75-6
CID: 12305773
Formula: C22H24N2O4
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass380.17360725
Monoisotopic Mass380.17360725
Topological Polar Surface Area73.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity609
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

Related Products

CatalogName
T26603-01Alstonine

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CatalogName
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