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Isoalantolactone

CAT: 0572-TRC-I779980-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I779980-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
470-17-7
Synonyms
Naphtho[2,3-b]furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, (3aR,4aS,8aR,9aR)-; Eudesma-4(14),11(13)-dien-12-oic acid, 8β-hydroxy-, γ-lactone (8CI); Isoalantolactone (6CI,7CI); Naphtho[2,3-b]furan-2(3H)-one, decahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3aα,4aα,8aβ,9aα)]-; (+)-Isoalantolactone; (3aR,4aS,8aR,9aR)-Decahydro-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one; 5αH-Eudesma-4(15),11(13)-dien-12,8β-olide; Isoallantolactone; Isohelenin; NSC 241036
Hazard Statement
Suspected of causing cancer.
Purity
>95% (HPLC)
Smiles
C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C
Molecular Formula
C15 H20 O2
Molecular Weight
232.32
InChI
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1
Additionnal Information
IUPAC name: (3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(+)-Isoalantolactone

Isoalantolactone is a sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. It has a role as an antifungal agent, an apoptosis inducer and a plant metabolite. It is a sesquiterpene lactone and a eudesmane sesquiterpenoid.

CAS Number470-17-7
PubChem CID73285
IUPAC Name(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Molecular FormulaC15H20O2
Molecular Weight232.32
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity409
SMILES
C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C
InChI
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1
InChIKey
CVUANYCQTOGILD-QVHKTLOISA-N
Chemical Structure
2D Structure
2D structure of (+)-Isoalantolactone
CAS: 470-17-7
CID: 73285
Formula: C15H20O2
MW: 232.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.32
XLogP33.4
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
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N0780-01Isoalantolactone

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