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Protostemotinine

CAT: 0013-GTR19165466-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165466-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Protostemotinine is a bioactive alkaloid isolated from Stemona japonica. It serves as a valuable research tool in pharmacological studies, with in vitro investigations exploring its potential biological activities and mechanisms of action.
CAS Number
169534-85-4
Product Name Alternative
Inhibitor, inhibit, sessilifolia, Protostemotinine, Stemona
Purity
98.62% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.41 mM) ; DMSO:4.16 mg/mL (10.01 mM)
Smiles
[H][C@]1 (C[C@H] (C) C (=O) O1) [C@]1 ([H]) CC[C@]23N1CCCCC2=C (C) C (=O) [C@]31OC (=O) C (C) =C1OC
Molecular Formula
C23H29NO6
Molecular Weight
415.48
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Protostemotinine

(1'S,2S,11'S)-3-methoxy-4,4'-dimethyl-11'-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-10'-azaspiro[furan-2,2'-tricyclo[8.3.0.0¹,⁵]tridecan]-4'-ene-3',5-dione has been reported in Stemona japonica, Stemona kerrii, and Stemona sessilifolia with data available.

CAS Number169534-85-4
PubChem CID53343513
IUPAC Name(1S,4S,13S)-4'-methoxy-3',11-dimethyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[5-azatricyclo[8.3.0.01,5]tridec-10-ene-13,5'-furan]-2',12-dione
Molecular FormulaC23H29NO6
Molecular Weight415.5
XLogP2
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity919
SMILES
C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@]34N2CCCCC3=C(C(=O)[C@@]45C(=C(C(=O)O5)C)OC)C
InChI
InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22-,23+/m0/s1
InChIKey
SKYPPFSYUDCEQR-NMXNWEJOSA-N
Chemical Structure
2D Structure
2D structure of Protostemotinine
CAS: 169534-85-4
CID: 53343513
Formula: C23H29NO6
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass415.19948764
Monoisotopic Mass415.19948764
Topological Polar Surface Area82.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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