4-Epihederagenin

Base Information

• Chemical Name: 4-Epihederagenin
• CAS No.: 83944-28-9
• Molecular Formula: C₃₀H₄₈O₄
• Molecular Weight: 472.709
• ChEMBL ID: CHEMBL4080417
• DSSTox Substance ID: DTXSID901316255
• Nikkaji Number: J921.165I
• Wikidata: Q27137868

Synonyms:4-epihederagenin;CHEMBL4080417;(4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;SCHEMBL18818579;CHEBI:69528;DTXSID901316255;BDBM50235154;AKOS025402305;AC-7989;83944-28-9;3beta,24-dihydroxyolean-12-en-28-oic acid;Q27137868

Chemical Property of 4-Epihederagenin

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 472.35526001
• Heavy Atom Count: 34
• Complexity: 908

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
• Isomeric SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O

Technology Process of 4-Epihederagenin

There total 28 articles about 4-Epihederagenin 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:

3-O-α-L-arabinopyranosyl-hederagenin (83864-95-3) → L-arabinose (5328-37-0) + (3β,4a)-3,23-dihydroxyoleanolic-12-en-28-oic acid (83944-28-9)

Guidance literature:

With sulfuric acid; for 5h; Heating;

DOI:10.1016/0031-9422(83)85060-2

Reference yield:

2'-O-acetyl-3-O-α-L-arabinopyranosyl-hederagenin → L-arabinose (5328-37-0) + (3β,4a)-3,23-dihydroxyoleanolic-12-en-28-oic acid (83944-28-9)

Guidance literature:

With sulfuric acid; for 5h; Heating;

DOI:10.1016/0031-9422(83)85060-2

Reference yield:

lablaboside E → methyl D-glucopyranoside (97-30-3,617-04-9,709-50-2,1824-94-8,2152-78-5,3396-99-4,6819-48-3,18469-06-2,20550-04-3,22277-65-2,29411-57-2,35437-40-2,35437-43-5,36191-11-4,36191-12-5,39598-79-3,39598-80-6,39598-89-5,51023-63-3,51223-62-2,51224-38-5,51224-39-6,51224-40-9,51224-41-0,51819-81-9,51819-82-0,51819-83-1,56688-81-4,62279-53-2,64281-79-4,64281-80-7,64912-19-2,66101-73-3,78184-90-4,84368-39-8,84368-40-1,84368-41-2,92142-37-5,93302-26-2,103421-28-9,115794-08-6,3149-68-6) + methyl D-galactopyranoside (97-30-3,617-04-9,709-50-2,1824-94-8,2152-78-5,3149-68-6,3396-99-4,6819-48-3,18469-06-2,20550-04-3,22277-65-2,29411-57-2,35437-40-2,35437-43-5,36191-11-4,36191-12-5,39598-79-3,39598-80-6,39598-89-5,51023-63-3,51223-62-2,51224-38-5,51224-39-6,51224-40-9,51224-41-0,51819-81-9,51819-82-0,51819-83-1,56688-81-4,62279-53-2,64281-79-4,64281-80-7,64912-19-2,66101-73-3,78184-90-4,84368-39-8,84368-40-1,84368-41-2,92142-37-5,93302-26-2,103421-28-9,115794-08-6) + (3β,4a)-3,23-dihydroxyoleanolic-12-en-28-oic acid (83944-28-9) + methyl L-rhamnopyranoside (1128-40-1,1198-82-9,2592-55-4,5155-43-1,6340-52-9,10503-91-0,14009-07-5,14687-15-1,14917-55-6,15814-59-2,24332-98-7,34299-65-5,42214-00-6,42214-11-9,57783-34-3,57783-36-5,57783-38-7,57783-40-1,57783-42-3,58525-46-5,58525-47-6,58525-48-7,62182-01-8,62182-02-9,65310-00-1,65941-62-0,68069-80-7,71116-57-9,72274-54-5,72274-55-6,73036-22-3,83198-64-5,85505-15-3,102517-74-8,109718-80-1,109718-81-2,125280-09-3,129172-95-8,63864-94-8)

Guidance literature:

With hydrogenchloride; methanol; for 2h; Further byproducts given; Heating;

DOI:10.3987/com-97-8095

upstream raw materials:

3-O-β-D-glucopyranosyl(1->3)-α-L-rhamnopyranosyl(1->2)-α-L-arabinopyranosyl-hederagenin

3-O-α-L-rhamnopyranosyl(1->2)-α-L-arabinopyranosyl-hederagenin 28-O-β-D-xylopyranosyl(1->6)-β-D-glucopyranosyl ester

3-O-β-D-glucopyranosyl(1->3)-α-L-rhamnopyranosyl(1->2)-α-L-arabinopyranosyl-hederagenin 28-O-β-D-glucopyranosyl(1->6)-β-D-glucopyranosyl ester

emarginatoside B

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