16-Oxokahweol - ≥98%(HPLC) , CAS No.108664-99-9

CAS: 108664-99-9 Cat. No.: O464968 Formula: C₁₉H₂₂O₂ Peso molecolare: 282.38 PubChem CID: 5157251

GRADE & PURITY ≥98%(HPLC)

Synonyms

(3bS,5aS,8R,10aR,10bS)-3b,4,5,8,9,10,10a,10b-Octahydro-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7(6H)-one | 12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-one | PD131630 | 12-methyl-8-oxapentacyclo[14.2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

(3bS,5aS,8R,10aR,10bS)-3b,4,5,8,9,10,10a,10b-Octahydro-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7(6H)-one | 12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-one | PD131630 | 12-methyl-8-oxapentacyclo[14.2

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

CC12C=CC3=C(C1CCC45C2CCC(C4)C(=O)C5)C=CO3

IUPAC Name

12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-one

InChIKey

ZUHATORLUREVSD-UHFFFAOYSA-N

INCHI

1S/C19H22O2/c1-18-7-5-16-13(6-9-21-16)14(18)4-8-19-10-12(15(20)11-19)2-3-17(18)19/h5-7,9,12,14,17H,2-4,8,10-11H2,1H3

Isomeri SMILES

CC12C=CC3=C(C1CCC45C2CCC(C4)C(=O)C5)C=CO3

PubChem CID

5157251

Peso molecolare

282.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Naphthofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Naphthofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthofurans
• Alternative Parents: Heteroaromatic compounds Furans Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - Heteroaromatic compound - Furan - Ketone - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 282.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 282.162 Da
• Monoisotopic Mass: 282.162 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 524.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1