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16-Epipyromesaconine

CAT: 1410-M38368Size: 1 EachDry Ice: NoHazardous: No
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Description
16-Epipyromesaconitine is a natural product that can be obtained by the pyrolysis of Mesaconitine.
CAS Number
132054-38-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
467.55
Molecular Formula
C24H37NO8
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

16-Epipyromesaconitine
CAS Number132054-38-7
PubChem CID168355619
IUPAC Name(1S,2R,3S,4R,5R,6S,8S,9R,10R,13R,14R,16S,17S,18R)-4,5,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-7-one
Molecular FormulaC24H37NO8
Molecular Weight467.6
XLogP-1.7
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity856
SMILES
CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@@H]5[C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@@H](C5=O)OC)O)OC)OC)O)COC
InChI
InChI=1S/C24H37NO8/c1-25-8-22(9-30-2)11(26)6-12(31-3)24-10-7-23(29)20(28)13(10)14(16(27)21(23)33-5)15(19(24)25)17(32-4)18(22)24/h10-15,17-21,26,28-29H,6-9H2,1-5H3/t10-,11-,12+,13+,14+,15+,17+,18-,19-,20-,21-,22+,23-,24+/m1/s1
InChIKey
ZKWNBZCZKGJWES-BZPQHDEXSA-N
Chemical Structure
2D Structure
2D structure of 16-Epipyromesaconitine
CAS: 132054-38-7
CID: 168355619
Formula: C24H37NO8
MW: 467.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.6
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass467.25191714
Monoisotopic Mass467.25191714
Topological Polar Surface Area118 Ų
Heavy Atom Count33
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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S673284Sodium Hexadecanoate-16,16,16-d3
T808141Glyceryl Tri(hexadecanoate-16,16,16-d3)
H293821n-Hexadecyl-16,16,16-d3 Alcohol
CS-SN-00091Exemestane-16,16-D2
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