gibberellin A2

Base Information

• Chemical Name: gibberellin A2
• CAS No.: 561-68-2
• Molecular Formula: C19H26O6
• Molecular Weight: 350.41
• UNII: 9VDJ2R95JQ
• DSSTox Substance ID: DTXSID001033466
• Metabolomics Workbench ID: 28522
• Nikkaji Number: J4.740F
• Wikidata: Q27116954
• Mol file: 561-68-2.mol

Synonyms:gibberellin A2;9VDJ2R95JQ;561-68-2;UNII-9VDJ2R95JQ;(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-DIHYDROXY-6,11-DIMETHYL-16-OXO-15-OXAPENTACYCLO(9.3.2.15,8.01,10.02,8)HEPTADECANE-9-CARBOXYLIC ACID;(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-dihydroxy-6,11-dimethyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid;GIBBERELLIN-A2;CHEBI:36774;DTXSID001033466;Q27116954;(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-dihydroxy-6,11-dimethyl-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid;(1S,2S,4aR,4bR,7R,8R,9aR,10S,10aR)-2,8-dihydroxy-1,8-dimethyl-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid;2beta,8alpha-dihydroxy-1alpha,8-dimethyl-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid;4A.ALPHA.,4B.BETA.-GIBBANE-1.ALPHA.,10.BETA.-DICARBOXYLIC ACID,.BETA.,4A,8-TRIHYDROXY-1,8-DIMETHYL-, 1,4A-LACTONE;GIBBANE-1,10-DICARBOXYLIC ACID, 2,4A,8-TRIHYDROXY-1,8-DIMETHYL-, 1,4A-LACTONE, (1.ALPHA.,2.BETA.,4A.ALPHA.,4B.BETA.,8.ALPHA.,10.BETA.)-

Chemical Property of gibberellin A2

Chemical Property:

• Boiling Point: 608.4±55.0 °C(Predicted)
• PKA: 4.20±0.70(Predicted)
• PSA: 104.06000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 1.33100
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 350.17293854
• Heavy Atom Count: 25
• Complexity: 691

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC23CC1CCC2C45CCC(C(C4C3C(=O)O)(C(=O)O5)C)O)O
• Isomeric SMILES: C[C@]1(C[C@]23C[C@H]1CC[C@H]2[C@]45CC[C@@H]([C@]([C@H]4[C@@H]3C(=O)O)(C(=O)O5)C)O)O

Technology Process of gibberellin A2

There total 4 articles about gibberellin A2 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + gibberellin A4 (468-44-0) → C18H22O3 (113973-97-0) + C19H24O3 (113888-88-3) + gibberellin A2 (561-68-2)

Guidance literature:

With hydrogenchloride; water; In methanol; for 120h; Ambient temperature;

Reference yield:

gibberellin A7 (510-75-8) + gibberellin A4 (468-44-0) → C18H22O3 (113973-97-0) + C19H24O3 (113888-88-3) + gibberellin A2 (561-68-2)

Guidance literature:

With hydrogenchloride; water; In methanol; for 120h; Ambient temperature;

Reference yield:

→ Gibberellin A(2) (561-68-2,19885-95-1,149654-14-8)

Guidance literature:

Gibberellin A(4) 3n-HCl, Me., Raumtemp., 2 Tage Stehenlassen;

upstream raw materials:

diazomethane

gibberellin A₄

gibberellin A₇