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Heishuixiecaoline A

CAT: 0013-GTR19183450-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183450-01Size:1 mg
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Description
Heishuixiecaoline A is a neuroprotective small molecule compound. It demonstrates efficacy in shielding PC12 cells from neurotoxicity in vitro, making it a valuable research tool for studying neurodegenerative mechanisms and potential therapeutic interventions.
CAS Number
1469493-85-3
Field of Research
Neuroscience
Smiles
O (C (C) =O) [C@H]1[C@]2 ([C@] (C2 (C) C) (/C=C (\C=O) /CC/C=C (\C) /C1) [H]) [H]
Molecular Formula
C17H24O3
Molecular Weight
276.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Heishuixiecaoline A
CAS Number1469493-85-3
PubChem CID156599165
IUPAC Name[(1S,2R,4E,8Z,10R)-8-formyl-4,11,11-trimethyl-2-bicyclo[8.1.0]undeca-4,8-dienyl] acetate
Molecular FormulaC17H24O3
Molecular Weight276.4
XLogP2.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity471
SMILES
C/C/1=C\CC/C(=C/[C@@H]2[C@@H](C2(C)C)[C@@H](C1)OC(=O)C)/C=O
InChI
InChI=1S/C17H24O3/c1-11-6-5-7-13(10-18)9-14-16(17(14,3)4)15(8-11)20-12(2)19/h6,9-10,14-16H,5,7-8H2,1-4H3/b11-6+,13-9-/t14-,15-,16-/m1/s1
InChIKey
WDPMIKJGUYMIBS-LMJWOKTQSA-N
Chemical Structure
2D Structure
2D structure of Heishuixiecaoline A
CAS: 1469493-85-3
CID: 156599165
Formula: C17H24O3
MW: 276.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass276.17254462
Monoisotopic Mass276.17254462
Topological Polar Surface Area43.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5760455Heishuixiecaoline A

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