Products for Research Use Only
RegisterLogin

Arnicolide C

CAT: 0931-TN1404-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN1404-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
34532-67-7
Target
Others
Related Pathways
Others
Purity
0.99991
Bioactivity
Arnicolide C (Isobutyroylplenolin) is a sesquiterpene lactone metabolite naturally found in Centipeda minima and Arnica montana. Arnicolide C is reported to possess diverse biological activities, including anti-inflammatory, antiallergy, antitumor, anticancer, and antiprotozoal properties, making it a multifunctional natural product.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
TN1405-01Arnicolide D
T14849-01C-NH-Boc-C-Bis- (C-PEG1-Boc)
T41069-01CHO-C-PEG2-C-CHO
T87513-01Thalidomide-azetidine-C-PIP-C-boc
TN11169-01Levinoid C
T71468-01Chaetochromin C
T70565-01Saussureamine C
T6890-01Mitomycin C
T67796-01C-BVDU
T67794-01C-AFG

Alternative Products

CatalogName
GTR19165380-01Arnicolide D
GTR19266050-01Arnicolide B
TBW01153Arnicolide C

Popular Products