Products for Research Use Only
RegisterLogin

Oleanolic acid hemiphthalate disodium salt

CAT: 0013-GTR19205259-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19205259-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Oleanolic acid hemiphthalate disodium salt is a research-grade anti-inflammatory compound. It is utilized in both in vitro and in vivo studies to investigate inflammatory pathways, including potential applications in models of liver disease and metabolic disorders.
CAS Number
168770-31-8
Smiles
[Na].[Na].[H][C@@]12CC (C) (C) CC[C@@]1 (CC[C@]1 (C) C2=CC[C@]2 ([H]) [C@@]3 (C) CC[C@H] (OC (=O) c4ccccc4C (O) =O) C (C) (C) [C@]3 ([H]) CC[C@@]12C) C (O) =O
Molecular Formula
C38H52Na2O6
Molecular Weight
650.808
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oleanolic acid hemiphthalate disodium salt
CAS Number168770-31-8
PubChem CID138454806
IUPAC Namedisodium;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(2-carboxylatobenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC38H50Na2O6
Molecular Weight648.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count46
Formal Charge0
Complexity1260
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)[O-])C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C38H52O6.2Na/c1-33(2)18-20-38(32(42)43)21-19-36(6)25(26(38)22-33)12-13-28-35(5)16-15-29(34(3,4)27(35)14-17-37(28,36)7)44-31(41)24-11-9-8-10-23(24)30(39)40;;/h8-12,26-29H,13-22H2,1-7H3,(H,39,40)(H,42,43);;/q;2*+1/p-2/t26-,27-,28+,29-,35-,36+,37+,38-;;/m0../s1
InChIKey
YBXPMGGHNXZAJS-IAYBDFNWSA-L
Chemical Structure
2D Structure
2D structure of Oleanolic acid hemiphthalate disodium salt
CAS: 168770-31-8
CID: 138454806
Formula: C38H50Na2O6
MW: 648.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight648.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass648.34027787
Monoisotopic Mass648.34027787
Topological Polar Surface Area107 Ų
Heavy Atom Count46
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19172479-01Oleanolic Acid
GTR19248041-01Malic acid disodium salt
GTR19243556-01Maleic acid disodium salt
GTR19219564Maleic acid disodium salt
GTR19169918-01Clodronic acid disodium salt
GTR19209980-01Oleanolic acid acrylate
GTR19173702-01DL-α-Hydroxyglutaric acid disodium salt
GTR19168283-015'-Guanylic acid disodium salt
GTR19233424-01(18α) -Oleanolic acid
GTR19202632-01Oleanolic acid derivative 2

Alternative Products

CatalogName
T12294-01Oleanolic acid hemiphthalate disodium salt
A13337-10Oleanolic acid hemiphthalate disodium salt 10mg
A13337-25Oleanolic acid hemiphthalate disodium salt 25mg
A13337-5Oleanolic acid hemiphthalate disodium salt 5mg
A13337-100Oleanolic acid hemiphthalate disodium salt 100mg
A13337-50Oleanolic acid hemiphthalate disodium salt 50mg
A13337-10mM-DOleanolic acid hemiphthalate disodium salt 10mM * 1mL in DMSO
190825Phosphotungstic Acid Disodium Salt (Dodeca- Tungstophosphoric Acid Disodium Salt)
HY-W073082Nitrilotriacetic acid (disodium salt)
269600Croconic acid disodium salt

Popular Products