Hederoside B

Base Information

• Chemical Name: Hederoside B
• CAS No.: 39776-12-0
• Molecular Formula: C36H58O9
• Molecular Weight: 634.851
• DSSTox Substance ID: DTXSID40960356
• Wikidata: Q82941528

Synonyms:Hederoside B;Vitalboside B;39776-12-0;Hederagenin 3-O-beta-D-glucopyranoside;Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-23-hydroxy-, (3beta,4alpha)-;MEGxp0_001184;ACon1_000976;DTXSID40960356;NCGC00169795-01;BRD-A46633460-001-01-2;3-(Hexopyranosyloxy)-23-hydroxyolean-12-en-28-oic acid

Chemical Property of Hederoside B

Chemical Property:

• Vapor Pressure: 1.92E-26mmHg at 25°C
• Melting Point: 198-211 °C(Solv: methanol (67-56-1))
• Boiling Point: 756.9°Cat760mmHg
• PKA: 4.63±0.70(Predicted)
• Flash Point: 230.1°C
• PSA: 156.91000
• Density: 1.27g/cm³
• LogP: 4.03020
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 634.40808342
• Heavy Atom Count: 45
• Complexity: 1200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Technology Process of Hederoside B

There total 6 articles about Hederoside B 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:

patensin → hederaginin-3-O-β-D-glucopyranoside (39776-12-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 0.5h; Heating;

DOI:10.1016/0031-9422(95)00021-X

Reference yield:

hederagenin-3-O-β-D-glucopyranosyl-28-O-β-D-xylopyranosyl-(1→6)-[β-D-xylopyranosyl-(1→4)-α-L-rhamnopyranosyl-(1→2)]-β-D-glucopyranoside → hederaginin-3-O-β-D-glucopyranoside (39776-12-0)

Guidance literature:

With methanol; sodium hydroxide; at 60 ℃; for 24h;

DOI:10.1039/d0ra01176b

Reference yield:

3β-[(β-D-glucopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid O-α-L-rhamnopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→6)]-β-D-glucopyranosyl ester → hederaginin-3-O-β-D-glucopyranoside (39776-12-0)

Guidance literature:

With potassium hydroxide; In methanol; for 0.5h; Heating;

DOI:10.1248/cpb.51.333

upstream raw materials:

emarginatoside B

salsoloside D

Downstream raw materials:

hedaragenin

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