Schisandrin C - ≥98%(HPLC) , CAS No.61301-33-5

CAS: 61301-33-5 Cat. No.: S465006 Molecular Weight: 384.428 EC Number: 809-293-7 PubChem CID: 119112

GRADE & PURITY ≥98%(HPLC)

Synonyms

AC-34835 | MFCD00272170 | schisandrinC | [1,3]Dioxolo[4'',5'']benzo[1'',2'':3',4']cycloocta[1',2':4,5]benzo[1,2-d]-1,3-dioxole,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl- | SCHEMBL12280310 | R-(+)-Wuweizisu C | Schisandrin derivative | DTXSID10131749

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Schisandrin C is a lignan found in the fruit ofSchisandra chinensis.

Specifications

Synonyms

AC-34835 | MFCD00272170 | schisandrinC | [1, 3]Dioxolo[4'', 5'']benzo[1'', 2'':3', 4']cycloocta[1', 2':4, 5]benzo[1, 2-d]-1, 3-dioxole, 5, 6, 7, 8-tetrahydro-13, 14-dimethoxy-6, 7-dimethyl- | SCHEMBL12280310 | R-(+)-Wuweizisu C | Schisandrin derivative | DTXSID10131749

Specifications & Purity

≥98%(HPLC)

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%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4CC1C)OCO5)OC)OC)OCO3
• IUPAC Name: 3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene
• InChIKey: HTBWBWWADZJXID-UHFFFAOYSA-N
• INCHI: 1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3
• Isomeric SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4CC1C)OCO5)OC)OC)OCO3
• WGK Germany: 3
• RTECS: GX9500000
• PubChem CID: 119112
• Molecular Weight: 384.428

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Tannins
      • Subclass Hydrolyzable tannins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Dibenzocyclooctadiene lignans Benzodioxoles Anisoles Alkyl aryl ethers Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydrolyzable tannin - Dibenzocyclooctane lignan - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
• 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

Chemical and Physical Properties

• Molecular Weight: 384.400 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 384.157 Da
• Monoisotopic Mass: 384.157 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 509.000
• 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

References

1. Zhao Zijia, Gao Yan, Yuan Min, Ye Cai, Guo Yingxue, Zhao Yanli, Li Jinlian, Cui Jiwen, Dong Tianwei, Wu Dongmei.  (2024)  Application Prospects of Schisandra chinensis Fruit Post-Distillation Residues in Anti-Photoaging Products: Enhancing Anti-Photoaging Through Lignans Conversion.  Waste and Biomass Valorization,      [PMID:] [10.1007/s12649-024-02846-0]

2. Zhang Jinpeng, Cui Xinyuan, Zhao Shuo, Chang Zenghui, Zhang Junshuo, Chen Yufeng, Liu Jiale, Sun Guohao, Wang Yiyuan, Liu Yuanyuan.  (2024)  Establishment of a pharmacokinetics and pharmacodynamics model of Schisandra lignans against hippocampal neurotransmitters in AD rats based on microdi-alysis liquid chromatography-mass spectrometry.  Frontiers in Pharmacology,      [PMID:38529184] [10.3389/fphar.2024.1342121]