Kammogenin

Base Information

• Chemical Name: Kammogenin
• CAS No.: 564-44-3
• Molecular Formula: C27H40O5
• Molecular Weight: 444.6
• Metabolomics Workbench ID: 35134
• Nikkaji Number: J13.212H
• Wikidata: Q76422752
• Mol file: 564-44-3.mol

Synonyms:Kammogenin;Kamogenin;564-44-3;(25R)-12-oxo-spirost-5-en-2alpha,3beta-diol;(25R)-2alpha,3beta-dihydroxy-spirost-5-en-12-one;CHEBI:186902;LMST01080040;(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one

Chemical Property of Kammogenin

Chemical Property:

• PSA: 75.99000
• LogP: 3.86370
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 444.28757437
• Heavy Atom Count: 32
• Complexity: 853

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CC=C6C5(CC(C(C6)O)O)C)C)C)OC1
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC=C6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1

Technology Process of Kammogenin

There total 6 articles about Kammogenin 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:

Di-O-acetyl-neokammogenin (5189-71-9) → Neokammogenin (564-44-3)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01202a036

Reference yield:

Neokammogenin (564-44-3) → kammogenin (564-44-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01202a036

Reference yield:

Di-O-acetyl-neokammogenin (5189-71-9) → kammogenin (564-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanolic KOH-solution

2: aq.-ethanolic hydrochloric acid

With hydrogenchloride; potassium hydroxide;

DOI:10.1021/ja01202a036

upstream raw materials:

hydrogenchloride

Di-O-acetyl-neokammogenin