7-Deacetyl-7-oxogedunin

Base Information

• Chemical Name: 7-Deacetyl-7-oxogedunin
• CAS No.: 13072-74-7
• Molecular Formula: C26H30 O6
• Molecular Weight: 438.521
• NSC Number: 309908
• DSSTox Substance ID: DTXSID70926869
• Wikidata: Q82901479
• Mol file: 13072-74-7.mol

Synonyms:7-Deacetyl-7-oxogedunin;13072-74-7;Desacetoxy-oxo-7-gedunine;7-Desacetoxy-7-oxogedunin;7-Oxo-7-deacetoxygedunin;7-deacetoxy-7-oxogedunin;NSC309908;NSC 309908;16,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactone;7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione;D-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-;C26H30O6;C26-H30-O6;7-Oxodeacetoxydihydro-..-gedunol;GEDUNIN, 7-KETO;SCHEMBL20639417;DTXSID70926869;PMISPNORJONCHB-UHFFFAOYSA-N;D-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5alpha,13alpha,14beta,15beta,17aalpha)- (9CI);7-Oxodeacetoxydihydro-.alpha.-gedunol;NSC-309908;(1S,3aS,41R,4a1R,10aS,12aS)-1-(furan-3-yl)-5-methoxy-4a1,7,7,10a,12a-pentamethyl-6,6a,7,10a,10b,11,12,12a-octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(1H,3aH,4a1H)-trione;1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-1,6a,7,10a,10b,11,12,12a-octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3ah,4bh,6H)-trione #;10-(Furan-3-yl)-4,4,6a,10a,12b-pentamethyl-4a,6a,10,10a,11,12,12a,12b-octahydrooxireno[c]phenanthro[1,2-d]pyran-3,6,8(4H,5H,7aH)-trione;16,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactone;D-Homo-24-nor-17-oxachola-1,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-

Chemical Property of 7-Deacetyl-7-oxogedunin

Chemical Property:

• Vapor Pressure: 8.19E-14mmHg at 25°C
• Boiling Point: 588.2°Cat760mmHg
• Flash Point: 309.5°C
• PSA: 86.11000
• Density: 1.29g/cm³
• LogP: 4.19810
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 438.20423867
• Heavy Atom Count: 32
• Complexity: 967

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CC(=O)C3(C(C2(C=CC1=O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C

Technology Process of 7-Deacetyl-7-oxogedunin

There total 3 articles about 7-Deacetyl-7-oxogedunin 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: 96.0%

7-Desacetylgedunin (23577-80-2,10314-90-6) → 7-deacetoxy-7-oxogedunin (13072-74-7)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃;

DOI:10.1021/jm8007486

Reference yield:

→ 7-deacetoxy-7-oxogedunin (13072-74-7)

Guidance literature:

aus IVb durch CrO3-Oxid.;

DOI:10.1016/S0040-4020(01)98254-7

Reference yield:

→ 7-deacetoxy-7-oxogedunin (13072-74-7)

Guidance literature:

upstream raw materials:

7-Desacetylgedunin

Downstream raw materials:

7-deacetylgedunin

3β-hydroxy-7-deacetyl-3-deoxogedunin

3β-hydroxy-3-deoxocedrolide

7-epi-deacetylgedunin

Refernces