Maslinic acid

• CAS: 4373-41-5
• Catalog Number: ACM4373415
• Category: Inhibitors
• Molecular Weight: 472.7
• Molecular Formula: C30H48O4
• Description: Maslinic acid can inhibit the DNA-binding activity of NF-κB p65 and abolish the phosphorylation of IκB-α, which is required for p65 activation.
• Synonyms: Crataegolic acid
• IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• Canonical SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C
• InChI: InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
• InChI Key: MDZKJHQSJHYOHJ-LLICELPBSA-N
• Boiling Point: 570.0±50.0 °C
• Melting Point: 267-269 °C
• Flash Point: 312.6°C
• Density: 1.14±0.1 g/ml
• Solubility: water, 0.00396 mg/L @ 25 °C (est)
• Appearance: Light-yellow powder
• Assay: 0.99
• MDL Number: MFCD00049293
• Packaging: 25 kg/DRUMS
• pKa: 4.63±0.70
• Refractive Index: 1.568

Custom Q&A

What is the molecular formula of maslinic acid?

The molecular formula of maslinic acid is C30H48O4.

What is the molecular weight of maslinic acid?

The molecular weight of maslinic acid is 472.7 g/mol.

What is the IUPAC name of maslinic acid?

The IUPAC name of maslinic acid is (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.

What is the InChI of maslinic acid?

The InChI of maslinic acid is InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1.

What is the InChIKey of maslinic acid?

The InChIKey of maslinic acid is MDZKJHQSJHYOHJ-LLICELPBSA-N.

What is the canonical SMILES of maslinic acid?

The canonical SMILES of maslinic acid is CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C.

What is the CAS number of maslinic acid?

The CAS number of maslinic acid is 4373-41-5.

What is the European Community (EC) number of maslinic acid?

The European Community (EC) number of maslinic acid is 610-137-3.

What is the ChEMBL ID of maslinic acid?

The ChEMBL ID of maslinic acid is CHEMBL201515.

What is the Wikipedia page for maslinic acid?

The Wikipedia page for maslinic acid is "Maslinic_acid".

Synthetic Use

Upstream Synthesis Route 1

• 464876-77-5

• 4373-41-5

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 3, p. 722 - 726
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 12, p. 3540 - 3554
[3] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 19, p. 4342 - 4346
[4] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 22, p. 4944 - 4948

Upstream Synthesis Route 2

• 73584-62-0

• 4373-41-5

Reference: [1] Tetrahedron Letters, 2014, vol. 55, # 37, p. 5156 - 5158

Upstream Synthesis Route 3

• 73584-62-0
• 67-64-1

• 4373-41-5

Reference: [1] Tetrahedron, 2015, vol. 71, # 45, p. 8528 - 8534