Lobaric acid

3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid

CAS: 522-53-2

Molecular Formula	`C25H28O8`
Molecular Weight	456.5 g/mol
LogP	6.1
Topological Polar Surface Area	119.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	456.1784
Heavy Atoms	33
Complexity	694.0

Chemical Identifiers

CAS Number	522-53-2
SMILES	`CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)C(=O)CCCC)OC)O)C(=O)O`
InChIKey	`JHEWMLHQNRHTQX-UHFFFAOYSA-N`

📖 Product Overview

Lobaric acid (CAS: 522-53-2) is a chemical compound with molecular formula C25H28O8 and molecular weight 456.5 g/mol. Its IUPAC systematic name is 3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid. LogP 6.1 Topological Polar Surface Area 119.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 10 Exact Mass 456.1784 Heavy Atoms 33 Complexity 694.0 InChI Key: JHEWMLHQNRHTQX-UHFFFAOYSA-N. SMILES: CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)C(=O)CCCC)OC)O)C(=O)O.

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