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Arnicolide C

CAT: 0013-GTR19183884-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183884-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Arnicolide C (Isobutyroylplenolin) is a sesquiterpene lactone natural product derived from Centipeda minima and Arnica montana. It exhibits multifunctional bioactivity, including anti-inflammatory and anticancer properties, which have been investigated in both in vitro cellular assays and in vivo experimental models for research purposes.
CAS Number
34532-67-7
Product Name Alternative
Arnicolide C, ArnicolideC
Purity
99.99% (May vary between batches)
Solubility
DMSO:80 mg/mL (239.23 mM)
Smiles
O (C (C (C) C) =O) [C@H]1[C@]2 ([C@@] (C[C@@H] (C) [C@]3 ([C@@]1 (C) C (=O) C=C3) [H]) (OC (=O) [C@H]2C) [H]) [H]
Molecular Formula
C19H26O5
Molecular Weight
334.41
Storage Conditions
Keep away from direct sunlight | 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

Npc219357

Arnicolide C has been reported in Arnica montana and Centipeda minima with data available.

CAS Number34532-67-7
PubChem CID14656910
IUPAC Name[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate
Molecular FormulaC19H26O5
Molecular Weight334.4
XLogP2.1
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity607
SMILES
C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C(C)C
InChI
InChI=1S/C19H26O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,9-13,15-16H,8H2,1-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
InChIKey
WKUOPGZYLRFCHJ-APDQSUQKSA-N
Chemical Structure
2D Structure
2D structure of Npc219357
CAS: 34532-67-7
CID: 14656910
Formula: C19H26O5
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass334.17802393
Monoisotopic Mass334.17802393
Topological Polar Surface Area69.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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