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Stemonidine

CAT: 0804-HY-N9392-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N9392-03Size:10 mg
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Description
Stemonidine is a natural Stemona alkaloid[1].
CAS Number
85700-47-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/stemonidine.html
Solubility
10 mM in DMSO
Smiles
C[C@H]1C[C@@H]([C@@H]2CC[C@@H]3N2CCC[C@@H](OC)[C@@]34C[C@@H](C)C(O4)=O)OC1=O
Molecular Formula
C19H29NO5
Molecular Weight
351.44
References & Citations
[1]Ren-ShengXu, et al. Studies on some new Stemona alkaloids : A diagnostically useful 1H NMR line-broadening effect. Tetrahedron Volume 38, Issue 17, 1982, Pages 2667-2670.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Stemonidine

CID 5250922 has been reported in Stemona japonica with data available.

CAS Number85700-47-6
PubChem CID5250922
IUPAC Name8-methoxy-3'-methyl-3-(4-methyl-5-oxooxolan-2-yl)spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
Molecular FormulaC19H29NO5
Molecular Weight351.4
XLogP2.3
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity566
SMILES
CC1CC(OC1=O)C2CCC3N2CCCC(C34CC(C(=O)O4)C)OC
InChI
InChI=1S/C19H29NO5/c1-11-9-14(24-17(11)21)13-6-7-15-19(10-12(2)18(22)25-19)16(23-3)5-4-8-20(13)15/h11-16H,4-10H2,1-3H3
InChIKey
TZPKEJFBTXRNTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stemonidine
CAS: 85700-47-6
CID: 5250922
Formula: C19H29NO5
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass351.20457303
Monoisotopic Mass351.20457303
Topological Polar Surface Area65.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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