3,13-Dihydroxygibberellin A15

Base Information

• Chemical Name: 3,13-Dihydroxygibberellin A15
• CAS No.: 36434-14-7
• Molecular Formula: C20H26O6
• Molecular Weight: 362.42
• DSSTox Substance ID: DTXSID901104424
• Nikkaji Number: J4.767H
• Wikidata: Q105005577
• Mol file: 36434-14-7.mol

Synonyms:3,13-Dihydroxygibberellin A15;GA38;36434-14-7;DTXSID901104424;Gibbane-1,10-dicarboxylic acid, 2,7-dihydroxy-4a-(hydroxymethyl)-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-

Chemical Property of 3,13-Dihydroxygibberellin A15

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 240-242 °C
• Boiling Point: 625.669°C at 760 mmHg
• PKA: 4.21±0.70(Predicted)
• Flash Point: 226.06°C
• Density: 1.422g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 362.17293854
• Heavy Atom Count: 26
• Complexity: 747

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12C(CCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)COC2=O)O
• Isomeric SMILES: C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)COC2=O)O