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Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione - 98%, high purity , CAS No.2958-72-7
Basic Description
Synonyms
WTUFOKOJVXNYTJ-UHFFFAOYSA-N | NSC122569 | NSC-122569 | pentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecane-8,11-dione | DTXSID30952063 | ghl.PD_Mitscher_leg0.66 | pentacyclo[5.4.0.0?,?.0?,??.0?,?]undecane-8,11-dione | EN300-51293 | Pentacyclo[5.4.0.02,6.03
Specifications & Purity
≥98%
Product Description
Description
Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione was used in the synthesis of 8,11-dihydroxy-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-lactam by reacting with aqueous sodium cyanide.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Monoterpenoids
Alternative Parents
Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Norbornane monoterpenoid - Monoterpenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units.
External Descriptors
Not available
Data sources
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
INCHI
InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2
InChIKey
WTUFOKOJVXNYTJ-UHFFFAOYSA-N
Smiles
C1C2C3C4C1C5C2C(=O)C3C4C5=O
Isomeric SMILES
C1C2C3C4C1C5C2C(=O)C3C4C5=O
WGK Germany
3
PubChem CID
137776
Molecular Weight
174.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
240-242° C
Molecular Weight
174.200 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
174.068 Da
Monoisotopic Mass
174.068 Da
Topological Polar Surface Area
34.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
350.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
8
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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