(3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde

Base Information

• Chemical Name: (3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde
• CAS No.: 25122-87-6
• Molecular Formula: C₃₀H₄₈O₆
• Molecular Weight: 504.708
• DSSTox Substance ID: DTXSID601175563
• Nikkaji Number: J18.699F
• Mol file: 25122-87-6.mol

Synonyms:25122-87-6;DTXSID601175563;(3beta,4beta,16alpha,21beta,22alpha)-3,16,21,22,28-Pentahydroxyolean-12-en-23-al

Chemical Property of (3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde

Chemical Property:

• Boiling Point: 626.4±55.0 °C(Predicted)
• PKA: 14.03±0.70(Predicted)
• Density: 1.23±0.1 g/cm3(Predicted)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 504.34508925
• Heavy Atom Count: 36
• Complexity: 961

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C=O)O)C)C
• Isomeric SMILES: C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)C=O)O

Technology Process of (3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde

There total 2 articles about (3S,4R,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-3,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde 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:

→ Camelliagenin E; Theasapogenol (15399-41-4,25122-87-6)

Guidance literature:

'Theasaponin', wss. H2SO4;

DOI:10.1002/jlac.19697210125

Reference yield:

→ Camelliagenin D (15399-41-4,25122-87-6)

Guidance literature:

'Theasaponin', wss. H2SO4;

DOI:10.1002/jlac.19697210125