CAS
52250-41-6 Purity
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52250-41-6 Purity
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Lobutoic acid
CAS
522-53-2
Catalog Number
ACM522532
Category
Other Products
Molecular Weight
456.49
Molecular Formula
C25H26O8
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Specification
Synonyms
LOBARIC ACID;USNETIC ACID;lobutoic;8-Hydroxy-3-methoxy-11-oxo-1-(1-oxopentyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
IUPAC Name
9-formyl-3-hydroxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
Canonical SMILES
CCCCCC1=C2C(=CC(=C1C(=O)O)O)OC(=O)C3=C(O2)C=C(C=C3C(=O)CCCC)OC
InChI Key
AMUYSZAQWSNVLN-UHFFFAOYSA-N
Boiling Point
667.9ºC at 760mmHg
Flash Point
225.7ºC
Density
1.265g/cm³
Exact Mass
456.17800
H-Bond Acceptor
8
H-Bond Donor
2
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