Brontisol structure

Brontisol

2-hydroxypropane-1,2,3-tricarboxylic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane

CAS: 2169-75-7
Molecular Formula C29H35NO8
Molecular Weight 525.6 g/mol
Topological Polar Surface Area 145.0 A2
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
Rotatable Bonds 7
Exact Mass 525.23627
Heavy Atoms 38
Complexity 654.0

Chemical Identifiers

CAS Number 2169-75-7
SMILES CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChIKey CHQGYMXXKZPWOI-UHFFFAOYSA-N

📖 Product Overview

Brontisol (CAS: 2169-75-7) is a chemical compound with molecular formula C29H35NO8 and molecular weight 525.6 g/mol. Its IUPAC systematic name is 2-hydroxypropane-1,2,3-tricarboxylic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane. Topological Polar Surface Area 145.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 7 Exact Mass 525.23627 Heavy Atoms 38 Complexity 654.0 InChI Key: CHQGYMXXKZPWOI-UHFFFAOYSA-N. SMILES: CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.

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Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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