Gomisin K3 - ≥98%(GC) , CAS No.69363-14-0

CAS: 69363-14-0 Cat. No.: G404512 Formule: C₂₃H₃₀O₆ Poids moléculaire: 402.49

GRADE & PURITY ≥98%(GC)

Synonyms

Q27269179 | Dibenzo(a,c)cycloocten-1-ol, 5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, (6S,7R)- | DIBENZO(A,C)CYCLOOCTEN-1-OL, 5,6,7,8-TETRAHYDRO-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-, (6S,7R,12AR)- | Gomisin-K3 | Dibenzo[a,c]cycloocten-1-

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Maximum Absorption Wavelength:214(MeOH)nm

Specifications

Synonymes

Q27269179 | Dibenzo(a,c)cycloocten-1-ol, 5,6,7,8-tetrahydro-2,3,10,11,12-pentamethoxy-6,7-dimethyl-, (6S,7R)- | DIBENZO(A,C)CYCLOOCTEN-1-OL, 5,6,7,8-TETRAHYDRO-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-, (6S,7R,12AR)- | Gomisin-K3 | Dibenzo[a,c]cycloocten-1-

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504754685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754685
• Sourires canoniques: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC
• IUPAC Name: (9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol
• InChIKey: FYSHYFPJBONYCQ-QWHCGFSZSA-N
• INCHI: 1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1
• Isomères SMILES: C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@H]1C)OC)OC)OC)O)OC)OC
• Poids moléculaire: 402.49
• Reaxy-Rn: 23489599
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23489599&ln=

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 Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydrolyzable tannin - Dibenzocyclooctane lignan - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic 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

Cibles associées (humaines)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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H9 (1832 Activities)

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PBMC (10003 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

Discover Target: ATXN2

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Cibles associées (non humaines)

Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Heat Sensitive
• Rotation spécifique [α]: 73° (C=0.5,CHCl3)
• Point de fusion (°C): 130 °C
• Poids moléculaire: 402.500 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 402.204 Da
• Monoisotopic Mass: 402.204 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 516.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 69363-14-0, the molecular formula is C23H30O6, and the molecular weight is 402.49 g/mol. InChIKey FYSHYFPJBONYCQ-QWHCGFSZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.