Moracin O

Base Information

• Chemical Name: Moracin O
• CAS No.: 123702-97-6
• Molecular Formula: C19H18 O5
• Molecular Weight: 326.349
• ChEMBL ID: CHEMBL205924
• Metabolomics Workbench ID: 48984,124677
• Nikkaji Number: J2.385.552F
• Pharos Ligand ID: KJUBYALRJYLK,KJUMWFDJDY1R
• Wikidata: Q104400264
• Mol file: 123702-97-6.mol

Synonyms:moracin O

Chemical Property of Moracin O

Chemical Property:

• PSA: 83.06000
• LogP: 3.58540
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 326.11542367
• Heavy Atom Count: 24
• Complexity: 457

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

MoracinO ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O

Technology Process of Moracin O

There total 2 articles about Moracin O 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: 53.0%

(R)-2-{6-[3,5-bis-(tert-butyl-dimethylsilanyloxy)-phenyl]-2,3,5,6-tetrahydrobenzo[1,2-b;5,4-b']difuran-2-yl}-propa-2-ol (1155310-20-5) → (R)-5-[6-(1-hydroxy-1-methylethyl)-2,3,5,6-tetrahydro-benzo[1,2-b;5,4-b']difuran-2-yl]-benzene-1,3-diol (123702-97-6)

Guidance literature:

With pyridine hydrogenfluoride; In tetrahydrofuran; pyridine; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/b823340c

Reference yield:

(9R)-moracin O 10'-O-β-D-glucopyranoside → (R)-5-[6-(1-hydroxy-1-methylethyl)-2,3,5,6-tetrahydro-benzo[1,2-b;5,4-b']difuran-2-yl]-benzene-1,3-diol (123702-97-6)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 2h;

DOI:10.3390/molecules22020236

upstream raw materials:

(R)-2-{6-[3,5-bis-(tert-butyl-dimethylsilanyloxy)-phenyl]-2,3,5,6-tetrahydrobenzo[1,2-b;5,4-b']difuran-2-yl}-propa-2-ol

Refernces

• 1、 Kaur, Navneet,Xia, Yan,Jin, Yinglan,Dat, Nguyen Tien,Gajulapati, Kondaji,Choi, Yongseok,Hong, Young-Soo,Lee, Jung Joon,Lee, Kyeong. "The first total synthesis of moracin O and moracin P, and establishment of the absolute configuration of moracin O". supporting information; experimental part. p. 1879 - 1881. Retrieved 2009/10/23.