Products for Research Use Only
RegisterLogin

Madecassic acid

CAT: 1410-M18146-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M18146-01Size:1 mL x 10 mM in DMSO
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Madecassic acid is extracted from the whole herb of Centella asiatica.
CAS Number
18449-41-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
504.71
Molecular Formula
C30H48O6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Madecassic Acid

Madecassic acid is a pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3, 6 and 23 (the 2alpha,3beta,6beta stereoisomer). It has a role as an antioxidant, an antibacterial agent, a hypoglycemic agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a monocarboxylic acid, a pentacyclic triterpenoid and a tetrol. It is a conjugate acid of a madecassate. It derives from a hydride of an ursane.

CAS Number18449-41-7
PubChem CID73412
IUPAC Name(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular FormulaC30H48O6
Molecular Weight504.7
XLogP4.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count36
Formal Charge0
Complexity963
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI
InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1
InChIKey
PRAUVHZJPXOEIF-AOLYGAPISA-N
Chemical Structure
2D Structure
2D structure of Madecassic Acid
CAS: 18449-41-7
CID: 73412
Formula: C30H48O6
MW: 504.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.7
XLogP34.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass504.34508925
Monoisotopic Mass504.34508925
Topological Polar Surface Area118 Ų
Heavy Atom Count36
Formal Charge0
Complexity963
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
M31665-01Lucidenic acid SP1 (Lucidenic acid LM1)
M39094-01Daurichromenic acid
M39092-01Hederagonic acid
M38666-01Pinolenic acid
M32313-01Eucomic acid
M32041-01Tropic acid
M31768-01Gambogellic acid
M31345-01Peroxydehydrotumulosic acid
M31205Isogambogenic acid
M31072-01Deacetylpseudolaric acid A

Alternative Products

CatalogName
SM5056-10mMMadecassic acid

Popular Products