Rhodojaponin VI

Base Information

• Chemical Name: Rhodojaponin VI
• CAS No.: 37720-87-9
• Molecular Formula: C₂₀H₃₄O₇
• Molecular Weight: 386.486
• UNII: HDF301Z2JX
• ChEMBL ID: CHEMBL3763411
• Nikkaji Number: J18.455A
• Wikidata: Q27279871
• Mol file: 37720-87-9.mol

Synonyms:Rhodojaponin VI;HDF301Z2JX;37720-87-9;UNII-HDF301Z2JX;CHEMBL3763411;BRN 4264514;NS00093922;Q27279871;Grayanotoxane-2,3,5,6,10,14,16-heptol, (3-beta,6-beta,14R)-;Grayanotoxane-2,3,5,6,10,14,16-heptol, (2.alpha.,3.beta.,6.beta.,14R)-

Chemical Property of Rhodojaponin VI

Chemical Property:

• Vapor Pressure: 1.63E-15mmHg at 25°C
• Boiling Point: 573°Cat760mmHg
• Flash Point: 259.8°C
• PSA: 141.61000
• Density: 1.43g/cm³
• LogP: -0.86090
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 386.23045342
• Heavy Atom Count: 27
• Complexity: 654

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(C2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)O)C
• Isomeric SMILES: C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H]([C@H]([C@@H](C4(C)C)O)O)[C@]([C@@H]2CC[C@@H]1[C@H]3O)(C)O)O)O)O

Technology Process of Rhodojaponin VI

There total 4 articles about Rhodojaponin VI 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:

14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16α-pentahydroxygrayanane (870785-29-8) → (2S,3S)-2-Methyl-3-hydroxybuttersaeure (84567-98-6) + rhodojaponin VI (37720-87-9)

Guidance literature:

With potassium hydroxide; water; In ethanol; at 80 ℃; for 3h;

DOI:10.1021/np050261s

Reference yield:

Arichannatoxin II (131110-08-2) → rhodojaponin VI (37720-87-9)

Guidance literature:

With potassium hydroxide; In methanol; at 15 ℃; for 3h;

Reference yield:

rhodojaponin I → rhodojaponin VI (37720-87-9)

Guidance literature:

Multi-step reaction with 2 steps

1: HClO₄ / acetone

2: (alkaline hydrolysis)

With perchloric acid; In acetone;

upstream raw materials:

Arichannatoxin II

14β-O-(2S,3S-nilyl)-2α,3β,5β,6β,16α-pentahydroxygrayanane