2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Base Information

• Chemical Name: 2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS No.: 60478-68-4
• Molecular Formula: C₄₅H₇₂O₁₆
• Molecular Weight: 869.057
• NSC Number: 115920
• DSSTox Substance ID: DTXSID20975887
• Wikidata: Q72472636

Synonyms:60478-68-4;2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;DTXSID20975887;BCP10401;NSC115920;NSC-115920;spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranoside;LS-15467;L023969;Collettiside III;CCRIS 4123;Saponin;CCRIS4123;CCRIS-4123

Chemical Property of 2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Chemical Property:

• Density: 1.39 g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 868.48203620
• Heavy Atom Count: 61
• Complexity: 1600

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

Technology Process of 2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

There total 41 articles about 2-[4-Hydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol 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: 100.0%

diosgenyl 2,4-di-O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-6-O-benzoyl-3-O-pivaloyl-β-D-glucopyranoside (243454-96-8) → dioscin (60478-68-4,19057-60-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 50 ℃; for 2h;

DOI:10.1016/S0040-4039(98)01354-9

Reference yield: 97.0%

diosgenin-3β-yl (2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-(1->4)-[(2,3,4-tri-O-acetyl)-α-L-rhamnopyranosyl)-(1->2)]-3,6-di-O-pivaloyl-β-D-glucopyranoside (335591-71-4) → dioscin (60478-68-4,19057-60-4)

Guidance literature:

With methanol; potassium hydroxide; at 65 ℃; for 20h;

DOI:10.1016/j.carres.2007.06.008

Reference yield: 95.0%

diosgenyl 3,6-di-O-benzyl-2,4-di-O-(2,3,4-tri-O-benzyl-α-L-rhamnopyranosyl)-β-D-glucopyranoside (503314-24-7) → dioscin (60478-68-4,19057-60-4)

Guidance literature:

With ammonia; sodium; In tetrahydrofuran; for 0.25h;

DOI:10.1016/S0008-6215(02)00275-6

upstream raw materials:

methyl protodioscin

diosgenyl 2,4-di-O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-6-O-benzoyl-3-O-pivaloyl-β-D-glucopyranoside

trigonelloside C

diosgenin-3β-yl (2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-(1->4)-[(2,3,4-tri-O-acetyl)-α-L-rhamnopyranosyl)-(1->2)]-3,6-di-O-pivaloyl-β-D-glucopyranoside

Downstream raw materials:

trillin

ophiopogonin C

diosgenin 3-O-α-L-rhamnopyranosyl(1->4)-β-D-glucopyranoside

diosgenin

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