Schizandrol B - 10mM in DMSO , CAS No.58546-54-6

CAS: 58546-54-6 Cat. No.: S424896 Formula: C₂₃H₂₈O₇ Peso molecolare: 416.464 Numero EC: 878-647-0 PubChem CID: 634470

GRADE & PURITY 10mM in DMSO

Synonyms

Schisandrol B|Gomisin A|58546-54-6|Schizandrol B|Wuweizi alcohol B|(+)-Gomisin A|Gomisin-A;TJN-101;Wuweizi alcohol-B|3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol|1,2,3,13-tetrameth

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

Schisandrol B | Gomisin A | 58546-54-6 | Schizandrol B | Wuweizi alcohol B | (+)-Gomisin A | Gomisin-A;TJN-101;Wuweizi alcohol-B | 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol | 1,2,3,13-tetrameth

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Nomi e identificatori

• Pubchem Sid: 528769797
• Sorrisi canonici: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3
• IUPAC Name: 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol
• InChIKey: ZWRRJEICIPUPHZ-UHFFFAOYSA-N
• INCHI: 1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3
• Isomeri SMILES: CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1(C)O)OC)OC)OC)OC)OCO3
• PubChem CID: 634470
• Peso molecolare: 416.464

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Dibenzocyclooctadiene lignans Benzodioxoles Anisoles Alkyl aryl ethers Tertiary alcohols Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydrolyzable tannin - Dibenzocyclooctane lignan - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Tertiary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,air sensitive
• Punto di fusione (°C): 93 °C
• Peso molecolare: 416.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 416.184 Da
• Monoisotopic Mass: 416.184 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 588.000
• 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

Riferimenti

1. Xiao-Hua Zhang, Hai-Long Wu, Xiao-Li Yin, Yong Li, Xiang-Dong Qing, Hui-Wen Gu, Chao Kang, Ru-Qin Yu.  (2016)  Exploiting third-order advantage using four-way calibration method for direct quantitative analysis of active ingredients of Schisandra chinensis in DMEM by processing four-way excitation–emission-solvent fluorescence data.  CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS,      [PMID:] [10.1016/j.chemolab.2016.04.008]

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]