13-[5-Hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Base Information

• Chemical Name: 13-[5-Hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
• CAS No.: 58543-17-2
• Molecular Formula: C38H60O18
• Molecular Weight: 804.884
• Hs Code.: 2938900000
• Wikidata: Q104987612
• Mol file: 58543-17-2.mol

Synonyms:13-[5-Hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid;(1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid;SCHEMBL21754718

Chemical Property of 13-[5-Hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Chemical Property:

• Boiling Point: 1000.6 °C at 760 mmHg
• PKA: 4.63±0.60(Predicted)
• Flash Point: 302.5 °C
• PSA: 294.98000
• Density: 1.53 g/cm³
• LogP: -2.37240
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: -1
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 804.37796506
• Heavy Atom Count: 56
• Complexity: 1450

Purity/Quality:

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

Rebaudioside B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)O
• Uses: Rebaudioside B is a steviol glycoside used as a nutritive sweetener and may be used as a replacement for sugar in food and beverages. Useful in the treatment of blood glucose sensitive diseases such as diabetes, high blood pressure, and obesity.

Technology Process of 13-[5-Hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

There total 4 articles about 13-[5-Hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid 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: 98.0%

rebaudioside A (58543-16-1) → rebaudioside B (58543-17-2)

Guidance literature:

With water; potassium hydroxide; at 90 ℃; for 1h;

Reference yield:

stevioside (57817-89-7) → rebaudioside B (58543-17-2)

Guidance literature:

With potassium hydroxide; In ethanol; at 110 ℃; for 1.5h;

DOI:10.1021/jf404018g

Reference yield:

→ rebaudioside B (58543-17-2)

Guidance literature:

upstream raw materials:

rebaudioside A

stevioside

Downstream raw materials:

rebaudioside D

Refernces

• 1、 -. "Rebaudioside Analogs". Paragraph 0199-0201. . Retrieved 2018/02/20.
• 2、 -. "Novel Process for the Preparation of Rebaudioside D and Other Related Naturally Occurring Sweetners". Paragraph 0161. . Retrieved 2014/10/16.