Momilactone A

Base Information

• Chemical Name: Momilactone A
• CAS No.: 51415-07-7
• Molecular Formula: C20H26 O3
• Molecular Weight: 314.425
• UNII: RJG8M9XC9B
• DSSTox Substance ID: DTXSID70965733
• Nikkaji Number: J221.703A
• Wikidata: Q27104650
• Metabolomics Workbench ID: 28524
• ChEMBL ID: CHEMBL2271029
• Mol file: 51415-07-7.mol

Synonyms:momilactone A

Chemical Property of Momilactone A

Chemical Property:

• Vapor Pressure: 1.2E-08mmHg at 25°C
• Melting Point: 235-236 °C
• Boiling Point: 460.1°C at 760 mmHg
• Flash Point: 201.8°C
• PSA: 43.37000
• Density: 1.14g/cm³
• LogP: 3.83590
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 314.18819469
• Heavy Atom Count: 23
• Complexity: 647

Purity/Quality:

99% ^*data from raw suppliers

Momilactone A NEW ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2C(=CC3C4C2(CCC(=O)C4(C(=O)O3)C)C)C1)C=C
• Isomeric SMILES: C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC(=O)[C@@]4(C(=O)O3)C)C)C1)C=C
• Uses: Momilactone A is a secondary plant metabolite with antimicrobial properties produced in response to plant infection and exposure to UV light. This diterpenoid phytoalexin is found only in rice (Oryza sativa) and moss (Hypnum plumaeforme).

Technology Process of Momilactone A

There total 1 articles about Momilactone A which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3β-hydroxy-9β-pimara-7,15-dien-19,6β-olide (62994-56-3) → momilactone A (51415-07-7)

Guidance literature:

With dehydrogenase from leaves of Oryza sativa; tris hydrochloride; nicotinamide adenine dinucleotide; In water; at 30 ℃; for 0.666667h; pH=6; Further Variations:; pH-values; Enzyme kinetics; Equilibrium constant;

DOI:10.1271/bbb.66.566

Reference yield: 89.0%

momilactone A (51415-07-7) → (1S,4aR,4bR,7R,10R,10aS)-7-ethenyl-3,4,4a,4b,5,6,7,8,10,10a-decahydro-10-hydroxy-1,4a,7-trimethylphenanthren-2(1H)-one (51226-29-0,62994-68-7)

Guidance literature:

With potassium hydroxide; In methanol; water; at 80 ℃; for 2h;

DOI:10.1271/bbb.110756

Reference yield:

momilactone A (51415-07-7) → 9β-Pimara-7,15-dien-3β,6β,19-triol

Guidance literature:

With lithium aluminium tetrahydride;

upstream raw materials:

3β-hydroxy-9β-pimara-7,15-dien-19,6β-olide

Downstream raw materials:

(1S,4aR,4bR,7R,10R,10aS)-7-ethenyl-3,4,4a,4b,5,6,7,8,10,10a-decahydro-10-hydroxy-1,4a,7-trimethylphenanthren-2(1H)-one

Refernces