Diosgenin,dehydro

Base Information

• Chemical Name: Diosgenin,dehydro
• CAS No.: 1672-65-7
• Molecular Formula: C₂₇H₄₀O₂
• Molecular Weight: 396.613
• NSC Number: 355453
• DSSTox Substance ID: DTXSID30937294
• Nikkaji Number: J596.545D
• Wikidata: Q82913500

Synonyms:(25R)-Spirosta-3,5-diene;1672-65-7;3-Deoxy-delta3-diosgenin;DIOSGENIN,DEHYDRO;Spirosta-3,5-diene, (25R)-;NSC 355453;SR-I-61;Spirosta-3,5-dien;SCHEMBL3685003;SRI-61;DTXSID30937294;NSC355453;NSC-355453

Chemical Property of Diosgenin,dehydro

Chemical Property:

• Vapor Pressure: 8.62E-10mmHg at 25°C
• Boiling Point: 504.1°Cat760mmHg
• Flash Point: 293.3°C
• Density: 1.09g/cm³
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 396.302830514
• Heavy Atom Count: 29
• Complexity: 754

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC=C6)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(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC=C6)C)C)C)OC1

Technology Process of Diosgenin,dehydro

There total 16 articles about Diosgenin,dehydro 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: 71.0%

diosgenin (512-04-9) → (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-oxane] (1672-65-7)

Guidance literature:

With hydrogenchloride; zinc; In ethanol; water; at 20 ℃; for 2h;

DOI:10.3390/molecules18033356

Reference yield: 58.0%

(25R)-spirost-4-ene-3-one (6870-79-7) → (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-oxane] (1672-65-7)

Guidance literature:

(25R)-spirost-4-ene-3-one; With C₁₉H₂₆ClIrN₃O⁽¹⁺⁾*Cl^(1-); In water; at 80 ℃; for 0.166667h;

With formic acid; In water; at 80 ℃; for 4h;

DOI:10.1039/c9gc00654k

Reference yield: 53.0%

diosgenin (512-04-9) → (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-oxane] (1672-65-7) + (8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[1-((R)-5-methyl-tetrahydro-pyran-2-yl)-ethyl]-1,2,7,8,9,10,11,12,13,14,15,17-dodecahydro-cyclopenta[a]phenanthren-16-one (80239-91-4)

Guidance literature:

With trichloroacetic acid; In benzene; for 4h; Product distribution; Heating; different times with various acids;

upstream raw materials:

acetic anhydride

(25R)-spirost-4-en-3α-ol

chlorogenin

diosgenin

Downstream raw materials:

(25R)-5α-Spirostan

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