(Z)-4-[12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid

Base Information

• Chemical Name: (Z)-4-[12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid
• CAS No.: 5064-89-1
• Molecular Formula: C₄₀H₄₆O₉
• Molecular Weight: 670.8
• NSC Number: 139221
• DSSTox Substance ID: DTXSID50420310

Synonyms:NSC693700;5064-89-1;SCHEMBL2682244;DTXSID50420310;NSC139221;NSC-139221;(Z)-4-[acetoxy-trimethyl-(3-methylbut-2-enyl)-(4-methylpent-3-enyl)-dioxo-[?]yl]-2-methyl-but-2-enoic acid;2-Butenoic acid, 4-[8-(acetyloxy)-3a,4,5,7-tetrahydro-3,3,11-trimethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methyl-, (2Z)-

Chemical Property of (Z)-4-[12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid

Chemical Property:

• Vapor Pressure: 3.29E-28mmHg at 25°C
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 670.31418304
• Heavy Atom Count: 49
• Complexity: 1600

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C
• Isomeric SMILES: CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)C)C

Technology Process of (Z)-4-[12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid

There total 2 articles about (Z)-4-[12-acetyloxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4,6(11),9,12,15-pentaen-19-yl]-2-methylbut-2-enoic acid 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:

→ Acetylguttisaeure (Acetylgambogasaeure) (5064-89-1,7521-75-7,11033-58-2)

Guidance literature:

Guttisaeure, Ac2O, Pyridin, 70 Std. / Raumtemp.;

Reference yield:

→ Acetyl-α-guttisaeure (Acetyl-α-gambogasaeure) (5064-89-1,7521-75-7,11033-58-2)

Guidance literature:

Guttisaeure, Ac2O, Pyridin, 2 Std. Rueckfluss;

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