Linderene - ≥98% , CAS No.26146-27-0

CAS: 26146-27-0 Cat. No.: L412881 Formula: C₁₅H₁₈O₂ Molecular Weight: 230.3 PubChem CID: 497203

GRADE & PURITY ≥98%

Synonyms

Cycloprop[2,3]indeno[5,6-b]furan-4-ol, 4,4a,5,5a,6,6a,6b,7-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS)- | HY-N2061 | (1S,2R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol | 3,6b-Dimethyl-5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Linderene (Lindenenol) is a furanosesquiterpenoid isolated fromLindera pulcherrimawith antibacterial and antioxidant activities.

Specifications

Synonyms

Cycloprop[2,3]indeno[5,6-b]furan-4-ol, 4,4a,5,5a,6,6a,6b,7-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS)- | HY-N2061 | (1S,2R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol | 3,6b-Dimethyl-5

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Linderene (Lindenenol) is a furanosesquiterpenoid isolated from Lindera pulcherrima with antibacterial and antioxidant activities.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Product Properties

ALogP

2.294

HBD Count

1

Names and Identifiers

Pubchem Sid

528765387

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765387

Canonical Smiles

CC1=COC2=C1C(C3C(=C)C4CC4C3(C2)C)O

IUPAC Name

(1S,2R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-ol

InChIKey

XRDJYSVGPBJZSG-PSDLAXTLSA-N

INCHI

1S/C15H18O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10,13-14,16H,2,4-5H2,1,3H3/t9-,10-,13-,14+,15+/m1/s1

Isomeric SMILES

CC1=COC2=C1[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(C2)C)O

PubChem CID

497203

Molecular Weight

230.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthofurans
• Alternative Parents: Benzofurans Heteroaromatic compounds Furans Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - Benzofuran - Heteroaromatic compound - Furan - Secondary alcohol - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: 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: benzofurans

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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (434.21 mM)
• Sensitivity: Sensitive to humidity and light
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 434.216239687364
• Water(mg / mL) Max Solubility: -1
• Molecular Weight: 230.300 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 230.131 Da
• Monoisotopic Mass: 230.131 Da
• Topological Polar Surface Area: 33.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 390.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1