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17-oxapentacyclo[6.6.5.0(2，7).0(9，14).0(15，19)]-nonadeca-2，4，6，9，11，13-hexaene-16，18-dione - ≥95%, high purity , CAS No.5443-16-3

COA

Grade & Purity:

≥95%

Cas Number: 5443-16-3
Molecular Weight: 276.29
PubChem CID: 138503

In stock

Item Number

O695793

Grouped product items
SKU	Size	Availability	Price	Qty
O695793-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$578.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lignans, neolignans and related compounds
  - Class Lignan lactones

Kingdom	Organic compounds
Superclass	Lignans, neolignans and related compounds
Class	Lignan lactones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Lignan lactones
Alternative Parents	Aryltetralin lignans Anthracenes Naphthofurans Tetralins Dicarboxylic acids and derivatives Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Lignan lactone - 1-aryltetralin lignan - Anthracene - Naphthofuran - Tetralin - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Tetrahydrofuran - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
INCHI	InChI=1S/C18H12O3/c19-17-15-13-9-5-1-2-6-10(9)14(16(15)18(20)21-17)12-8-4-3-7-11(12)13/h1-8,13-16H
InChIKey	PSKVQQJLLWSBFV-UHFFFAOYSA-N
Smiles	C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)OC4=O
Isomeric SMILES	C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)OC4=O
PubChem CID	138503
Molecular Weight	276.29

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	276.300 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	276.079 Da
Monoisotopic Mass	276.079 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	431.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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