Neosakuranin

Base Information

• Chemical Name: Neosakuranin
• CAS No.: 31187-54-9
• Molecular Formula: C22H24 O10
• Molecular Weight: 448.427
• Metabolomics Workbench ID: 26782
• Mol file: 31187-54-9.mol

Synonyms:neosakuranin;Chalconosakuranetin;(E)-1-[2-hydroxy-4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;SCHEMBL25191361;CHEBI:173296;LMPK12120306

Chemical Property of Neosakuranin

Chemical Property:

• Melting Point: 107-108 °C
• Boiling Point: 794.0±60.0 °C(Predicted)
• PKA: 6.77±0.40(Predicted)
• PSA: 166.14000
• Density: 1.505±0.06 g/cm3(Predicted)
• LogP: 0.18120
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 448.13694696
• Heavy Atom Count: 32
• Complexity: 634

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)C=CC3=CC=C(C=C3)O)O
• Isomeric SMILES: COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)/C=C/C3=CC=C(C=C3)O)O

Technology Process of Neosakuranin

There total 1 articles about Neosakuranin 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:

sakuranin (1195628-34-2) → neosakuranin (31187-54-9)

Guidance literature:

With sodium hydroxide;

Reference yield:

neosakuranin (31187-54-9) → (-)-(S)-sakuranetin (520-29-6,2957-21-3,17784-36-0,118244-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1M malic acid / 60 °C

2: 1M malic acid / 60 °C / other object of study: half-lives; other reagent : acetic acid, oxalic acid, HCl; other temperature

With malic acid;

DOI:10.1016/0031-9422(91)84200-C

Reference yield:

neosakuranin (31187-54-9) → 5,4′-dihydroxy-7-methoxyflavanone 5-O-β-D-glucopyranoside (529-39-5,29838-65-1)

Guidance literature:

With malic acid; at 60 ℃;

DOI:10.1016/0031-9422(91)84200-C

upstream raw materials:

sakuranin

Downstream raw materials:

5,4′-dihydroxy-7-methoxyflavanone 5-O-β-D-glucopyranoside

(-)-(S)-sakuranetin