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Alpha-Amyrone

CAT: 0013-GTR19205138-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205138-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alpha-Amyrone is a natural triterpenoid isolated from the aerial parts of Inula candida. It exhibits antineoplastic properties and is utilized in cancer research, with studies investigating its cytotoxic effects in various in vitro cell line assays.
CAS Number
638-96-0
Product Name Alternative
α-Amyrone, Urs-12-en-3-one, Alfa-Amyrenone, Alpha-Amyrone, a-Amyrone
Field of Research
Metabolism Research
Purity
99.60% (May vary between batches)
Solubility
DMSO:3 mg/mL (7.06 mM)
Smiles
C[C@]12[C@@]3 (C) C ([C@]4 ([C@@] (C) (CC3) CC[C@@H] (C) [C@@H]4C) [H]) =CC[C@@]1 ([C@]5 (C) [C@@] (CC2) (C (C) (C) C (=O) CC5) [H]) [H]
Molecular Formula
C30H48O
Molecular Weight
424.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-Amyrenone

α-amyrenone has been reported in Marsdenia oreophila, Artemisia annua, and other organisms with data available.

CAS Number638-96-0
PubChem CID12306155
IUPAC Name(4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
Molecular FormulaC30H48O
Molecular Weight424.7
XLogP8.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity820
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C
InChI
InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1
InChIKey
DIFWJJFSELKWGA-IPQOMUISSA-N
Chemical Structure
2D Structure
2D structure of alpha-Amyrenone
CAS: 638-96-0
CID: 12306155
Formula: C30H48O
MW: 424.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.7
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass424.370516150
Monoisotopic Mass424.370516150
Topological Polar Surface Area17.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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