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(+)-Costunolide

CAT: 0572-TRC-C697550-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C697550-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
553-21-9
Synonyms
Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS,6E,10E,11aR)-; Costunolide (6CI); Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, [3aS-(3aR*,6E,10E,11aS*)]-; Germacra-1(10),4,11(13)-trien-12-oic acid, 6α-hydroxy-, γ-lactone, (E,E)- (8CI); (+)-Costunolide; (3aS,6E,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one; Costunolid; Costus lactone; NSC 106404
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
C\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1)\C
Molecular Formula
C15 H20 O2
Molecular Weight
232.32
InChI
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
Additionnal Information
IUPAC name: (3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Costunolide

Costunolide is a germacranolide with anthelminthic, antiparasitic and antiviral activities. It has a role as a metabolite, an antiinfective agent, an antiparasitic agent, an anthelminthic drug, an antineoplastic agent and an antiviral drug. It is a heterobicyclic compound and a germacranolide.

CAS Number553-21-9
PubChem CID5281437
IUPAC Name(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Molecular FormulaC15H20O2
Molecular Weight232.32
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity401
SMILES
C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C
InChI
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
InChIKey
HRYLQFBHBWLLLL-AHNJNIBGSA-N
Chemical Structure
2D Structure
2D structure of Costunolide
CAS: 553-21-9
CID: 5281437
Formula: C15H20O2
MW: 232.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.32
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass232.146329876
Monoisotopic Mass232.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3327-5.1Costunolide
445060-01(+) -Costunolide

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