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ent-3Beta-Tigloyloxykaur-16-en-19-oic acid

$830

  • Brand : BIOFRON

  • Catalogue Number : AV-B02539

  • Specification : 95%

  • CAS number : 79406-09-0

  • Formula : C25H36O4

  • Molecular Weight : 400.55

  • PUBCHEM ID : 102004560

  • Volume : 5mg

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Catalogue Number

AV-B02539

Analysis Method

HPLC,NMR,MS

Specification

95%

Storage

2-8°C

Molecular Weight

400.55

Appearance

Powder

Botanical Source

Structure Type

Diterpenoids

Category

Standards;Natural Pytochemical;API

SMILES

CC=C(C)C(=O)OC1CCC2(C3CCC4CC3(CCC2C1(C)C(=O)O)CC4=C)C

Synonyms

(3α,5β,8α,9β,10α,13α)-3-{[(2E)-2-Methyl-2-butenoyl]oxy}kaur-16-en-18-oic acid

IUPAC Name

(1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Density

1.1±0.1 g/cm3

Solubility

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Flash Point

167.5±23.6 °C

Boiling Point

514.2±50.0 °C at 760 mmHg

Melting Point

InChl

InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-10-11-23(4)18(24(20,5)22(27)28)9-12-25-13-16(3)17(14-25)7-8-19(23)25/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18+,19+,20-,23-,24+,25-/m1/s1

InChl Key

HCVOJPQEMAKKFV-ZRAJGRQHSA-N

WGK Germany

RID/ADR

HS Code Reference

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:79406-09-0) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

31392020

Abstract

Reductive cyclization of 1,3,5-triphenyl- and 3-(2-meth­oxy­phen­yl)-1,5-di­phenyl­pentane-1,5-diones by zinc in acetic acid medium leads to the formation of 1,2,4-tri­phenyl­cyclo­pentane-1,2-diol [1,2,4-Ph3C5H5-1,2-(OH)2, C23H22O2, (I)] and 4-(2-meth­oxy­phen­yl)-1,2-di­phenyl­cyclo­pentane-1,2-diol [4-(2-MeOC6H4)-1,2-Ph2C5H5-1,2-(OH)2, C24H24O3, (II)]. Their single crystals have been obtained by crystallization from a THF/hexane solvent mixture. Diols (I) and (II) crystallize in ortho­rhom­bic (Pbca) and triclinic (P An external file that holds a picture, illustration, etc.
Object name is e-75-01035-efi1.jpg) space groups, respectively, at 150?K. Their asymmetric units comprise one [in the case of (I)] and three [in the case of (II)] crystallographically independent mol­ecules of the achiral (1R,2S,4r)-diol isomer. Each hydroxyl group is involved in one intra­molecular and one inter­molecular O?H?O hydrogen bond, forming one-dimensional chains. Compounds (I) and (II) have been used successfully as precatalyst activators for the ring-opening polymerization of ?-caprolactone.

KEYWORDS

cyclo­pentane-1,2-diol, crystal structure, hydrogen bonding, ring-opening polymerization, caprolactone

Title

(1R,2S,4r)-1,2,4-Tri­phenyl­cyclo­pentane-1,2-diol and (1R,2S,4r)-4-(2-meth­oxy­phen­yl)-1,2-di­phenyl­cyclo­pentane-1,2-diol: application as initiators for ring-opening polymerization of ?-caprolactone

Author

Pavel D. Komarov,a Mikhail E. Minyaev,a,* Andrei V. Churakov,b Dmitrii M. Roitershtein,a,c and Ilya E. Nifant’eva,d

Publish date

2019 Jul 1;

PMID

26396790

Abstract

The title compound [systematic name: 3-hy­droxy-2-(4-methyl­sulfonyl-2-nitro­benzo­yl)cyclo­hex-2-enone], C14H13NO7S, is the enol form of a benzoyl­cyclo­hexa­nedione herbicide. As a result of this tautomerization, there is intra­molecular O?H?O hydrogen bond enclosing an S(6) ring motif. The cyclo­hexene ring has an envelope conformation, with the central CH2 C atom as the flap. Its mean plane is inclined to the benzene ring by 87.46?(8)°. In the crystal, mol­ecules are linked by a series of C?H?O hydrogen bonds, forming a three-dimensional framework.

KEYWORDS

crystal structure, tautomerization, enol form, intra­molecular O?H?O hydrogen bond.

Title

Crystal structure of the enol form of mesotrione: a benzoyl­cyclo­hexa­nedione herbicide

Author

Gihaeng Kang,a Jineun Kim,a,* Hyunjin Park,a and Tae Ho Kima,*

Publish date

2015 Aug 1;

PMID

26297502

Abstract

Background
Although numerous efforts have been made, the pathogenesis underlying lung squamous-cell carcinoma (SCC) remains unclear. This study aimed to identify the CNV-driven genes by an integrated analysis of both the gene differential expression and copy number variation (CNV).

Results
A higher burden of the CNVs was found in 10-50 kb length. The 16 CNV-driven genes mainly located in chr 1 and chr 3 were enriched in immune response [e.g. complement factor H (CFH) and Fc fragment of IgG, low affinity IIIa, receptor (FCGR3A)], starch and sucrose metabolism [e.g. amylase alpha 2A (AMY2A)]. Furthermore, 38 TFs were screened for the 9 CNV-driven genes and then the regulatory network was constructed, in which the GATA-binding factor 1, 2, and 3 (GATA1, GATA2, GATA3) jointly regulated the expression of TP63.

Conclusions
The above CNV-driven genes might be potential contributors to the development of lung SCC.

KEYWORDS

Lung squamous-cell carcinoma, Differentially expressed genes, Copy number variation, Copy number variation-driven genes

Title

Integrated analyses of copy number variations and gene differential expression in lung squamous-cell carcinoma

Author

Zhao Yang, Bing Zhuan, Ying Yan, Simin Jiang, and Tao Wang

Publish date

2015;


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