Gitoxoside

Base Information

• Chemical Name: Gitoxoside
• CAS No.: 4562-36-1
• Molecular Formula: C41H64O14
• Molecular Weight: 780.951
• Hs Code.: 29389090
• NSC Number: 95099
• DSSTox Substance ID: DTXSID90871908
• Wikidata: Q105153228
• Mol file: 4562-36-1.mol

Synonyms:Gitoxoside;MLS002701944;Gitoksin;Gitoxim;3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;NSC-95099;Digoxin Impurity B;DTXSID90871908;NSC95099;3-{[2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide;NCI60_042118;SMR001565526;FT-0603661;WLN: L E5 B666TJ A1 E1 GQ IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ

Chemical Property of Gitoxoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 265oC
• Refractive Index: 1.6130 (estimate)
• Boiling Point: 932°C at 760 mmHg
• PKA: 13.50±0.70(Predicted)
• Flash Point: 278.6°C
• PSA: 203.06000
• Density: 1.36g/cm³
• LogP: 2.21810
• Water Solubility.: 2.343mg/L(temperature not stated)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 780.42960671
• Heavy Atom Count: 55
• Complexity: 1450

Purity/Quality:

98%,99%, ^*data from raw suppliers

Gitoxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)O)O)C)C)C)C)O)O
• Uses: cardiotonic

Technology Process of Gitoxoside

There total 3 articles about Gitoxoside 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:

→ gitoxin (4562-36-1)

Guidance literature:

mit Hilfe eines Enzym-Praeparats aus Blaettern von Digitalis purpurea;

DOI:10.1002/hlca.19350180117

Reference yield:

→ gitoxin (4562-36-1)

Guidance literature:

Reference yield:

→ Gitoxin (4562-36-1,23478-02-6)

Guidance literature:

Rk. m. Propionsaeureanhydrid;

DOI:10.1002/oms.1210030111

Downstream raw materials:

O-Acetyl-gitoxin-α

Pengitoxin

oleandrigenin

gitoxigenin

Refernces