Sulfodehydroabietic acid calcium salt

Base Information

• Chemical Name: Sulfodehydroabietic acid calcium salt
• CAS No.: 86408-75-5
• Molecular Formula: C₂₀H₂₆O₅S*Ca
• Molecular Weight: 418.567
• DSSTox Substance ID: DTXSID001006817
• Mol file: 86408-75-5.mol

Synonyms:Sulfodehydroabietic acid calcium salt;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4-dimethyl-7-(1-methylethyl)-6-sulfo-, calcium salt, (1R-(1-alpha,4a-beta,10a-alpha))-, (1:1);86408-75-5;C20H26O5S.Ca;C20-H26-O5-S.Ca;DTXSID001006817;LS-102620;Calcium 12-sulfonatoabieta-8(14),9(11),12-trien-18-oate

Chemical Property of Sulfodehydroabietic acid calcium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 105.71000
• Density: g/cm³
• LogP: 3.55510
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 418.1126859
• Heavy Atom Count: 27
• Complexity: 647

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)[O-])C)S(=O)(=O)[O-].[Ca+2]
• Isomeric SMILES: CC(C)C1=C(C=C2C(=C1)CC[C@H]3[C@]2(CCC[C@@]3(C)C(=O)[O-])C)S(=O)(=O)[O-].[Ca+2]

Technology Process of Sulfodehydroabietic acid calcium salt

There total 1 articles about Sulfodehydroabietic acid calcium salt 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: 46.0%

12-sulfodehydroabietic acid disodium salt (86408-71-1,86408-72-2) → 12-sulfodehydroabietic acid calcium salt (86408-75-5,97363-72-9)

Guidance literature:

With calcium chloride; In water;

DOI:10.1248/cpb.33.1472

upstream raw materials:

12-sulfodehydroabietic acid disodium salt

Refernces