Gomisin O

Base Information

• Chemical Name: Gomisin O
• CAS No.: 72960-22-6
• Molecular Formula: C₂₃H₂₈O₇
• Molecular Weight: 416.471
• UNII: 203U4U9E2M
• Nikkaji Number: J3.159.674B
• Wikidata: Q27253411
• Metabolomics Workbench ID: 142107
• ChEMBL ID: CHEMBL522973
• Mol file: 72960-22-6.mol

Synonyms:Gomisin O;72960-22-6;UNII-203U4U9E2M;203U4U9E2M;Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5R,6S,7S,13aS)-;(8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-ol;GomisinO;CHEMBL522973;SCHEMBL1788230;HY-N2235;AKOS037515110;MS-27243;CS-0019558;Q27253411;(7S)-6beta,7beta-Dimethyl-1,2,3,12-tetramethoxy-10,11-methylenedioxy-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene-5alpha-ol;Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, (5R,6S,7S)-

Chemical Property of Gomisin O

Chemical Property:

• Boiling Point: 575.6±50.0 °C(Predicted)
• PKA: 13.81±0.60(Predicted)
• PSA: 75.61000
• Density: 1.204±0.06 g/cm3(Predicted)
• LogP: 3.97840
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 416.18350323
• Heavy Atom Count: 30
• Complexity: 574

Purity/Quality:

99%, ^*data from raw suppliers

Gomisin O ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1C)O)OC)OC)OC)OC)OCO3
• Isomeric SMILES: C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@H]1C)O)OC)OC)OC)OC)OCO3

Technology Process of Gomisin O

There total 15 articles about Gomisin O 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: 98.0%

C30H31NO10 → gomisin O (72960-22-6,73036-31-4)

Guidance literature:

With potassium hydroxide; In methanol; at 25 ℃;

DOI:10.1021/jo051525i

Reference yield: 95.0%

C29H42O7Si → gomisin O (72960-22-6,73036-31-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 55 ℃; for 6h;

DOI:10.1021/jo051525i

Reference yield: 79.0%

C29H42O7Si → (8S,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-8-ol (72960-22-6,73036-31-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 55 ℃; for 6h;

DOI:10.1021/jo051525i

upstream raw materials:

Tigloylgomisin O

angeloylgomisin O

((1R,2S,3S)-1-(2-bromo-3,4,5-trimethoxyphenyl)-4-(4-methoxybenzo[d][1,3]dioxol-6-yl)-2,3-dimethylbutoxy)(tert-butyl)dimethylsilane

((1R,2S,3S)-1-(2-bromo-3,4,5-trimethoxyphenyl)-4-(5-bromo-4-methoxybenzo[d][1,3]dioxol-6-yl)-2,3-dimethylbutoxy)(tert-butyl)dimethylsilane

Downstream raw materials:

gomisin O

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