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3alpha-Cinnamoyloxypterokaurene L3

$830

  • Brand : BIOFRON

  • Catalogue Number : AV-B02388

  • Specification : 98%

  • CAS number : 79406-13-6

  • Formula : C29H36O5

  • Molecular Weight : 464.59

  • PUBCHEM ID : 86345522

  • Volume : 5mg

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Catalogue Number

AV-B02388

Analysis Method

HPLC,NMR,MS

Specification

98%

Storage

2-8°C

Molecular Weight

464.59

Appearance

Powder

Botanical Source

Structure Type

Diterpenoids

Category

Standards;Natural Pytochemical;API

SMILES

CC12CCC(C(C1CCC34C2(CCC(C3)C(=C)C4)O)(C)C(=O)O)OC(=O)C=CC5=CC=CC=C5

Synonyms

3alpha-Cinnnamoyloxy-9beta-hydroxy-ent-kaur-16-en-19-oic acid/(3α,5β,8α,9β,10α,13α)-9-Hydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-16-en-18-oic acid/3α-Cinnamoyloxypterokaurene L3/3alpha-Cinnamoyloxy L3

IUPAC Name

(1S,4S,5S,6R,9R,10S,13S)-10-hydroxy-5,9-dimethyl-14-methylidene-6-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Applications

Density

1.2±0.1 g/cm3

Solubility

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

Flash Point

201.1±25.0 °C

Boiling Point

616.8±55.0 °C at 760 mmHg

Melting Point

InChl

InChl Key

JZOCBKSMVFBSKG-OQOIVFRYSA-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#:79406-13-6) 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

29871597

Abstract

Background
Smokeless tobacco (SLT) prevalence had been declining in the US prior to 2002 but has since increased. Knowledge about the impact of tobacco control policies on SLT and cigarette use is limited. This study examines the interrelationship between policies, cigarette use, and SLT use by applying the SimSmoke tobacco control policy simulation model.

Methods
Using data from large-scale Tobacco Use Supplement and information on policies implemented, US SimSmoke was updated and extended to incorporate SLT use. The model distinguishes between exclusive SLT and dual use of SLT and cigarettes, and considers the effect of implementing individual and combined tobacco control policies on smoking and SLT use, and on deaths attributable to their use. After validating against Tobacco Use Supplement (TUS) survey data through 2015, the model was used to estimate the impact of policies implemented between 1993 and 2017.

Results
SimSmoke reflected trends in exclusive cigarette use from the TUS, but over-estimated the reductions, especially among 18-24 year olds, until 2002 and under-estimated the reductions from 2011 to 2015. By 2015, SimSmoke projections of exclusive SLT and dual use were close to TUS estimates, but under-estimated reductions in both from 1993 to 2002 and failed to estimate the growth in male exclusive SLT use, especially among 18-24 year olds, from 2011 to 2015. SimSmoke projects that policies implemented between 1993 and 2017 reduced exclusive cigarette use by about 35%, dual use by 32.5% and SLT use by 16.5%, yielding a reduction of 7.5 million tobacco-attributable deaths by 2067. The largest reductions were attributed to tax increases.

Conclusions
Our results indicate that cigarette-oriented policies may be effective in also reducing the use of other tobacco products. However, further information is needed on the effect of tobacco control policies on exclusive and dual SLT use and the role of industry.

KEYWORDS

Smokeless tobacco, Tobacco control policies, Simulation model

Title

The US SimSmoke tobacco control policy model of smokeless tobacco and cigarette use

Author

David T. Levy,corresponding author Zhe Yuan, and Yameng Li

Publish date

2018;

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;