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Oplopanone

$1,152

  • Brand : BIOFRON

  • Catalogue Number : BN-O1650

  • Specification : 98%(HPLC)

  • CAS number : 1911-78-0

  • Formula : C15H26O2

  • Molecular Weight : 238.4

  • PUBCHEM ID : 10466745

  • Volume : 5mg

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Catalogue Number

BN-O1650

Analysis Method

HPLC,NMR,MS

Specification

98%(HPLC)

Storage

-20℃

Molecular Weight

238.4

Appearance

Powder

Botanical Source

This product is isolated and purified from the herbs of Artemisia sieberi

Structure Type

Sesquiterpenoids

Category

Standards;Natural Pytochemical;API

SMILES

CC(C)C1CCC(C2C1C(CC2)C(=O)C)(C)O

Synonyms

Ethanone, 1-[(1S,3aR,4R,7S,7aS)-octahydro-4-hydroxy-4-methyl-7-(1-methylethyl)-1H-inden-1-yl]-/1-[(1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl]ethanone

IUPAC Name

1-[(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone

Density

1.0±0.1 g/cm3

Solubility

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

Flash Point

143.2±15.8 °C

Boiling Point

336.7±25.0 °C at 760 mmHg

Melting Point

InChl

InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1

InChl Key

WLXJHVQYKOJBBN-NJVJYBDUSA-N

WGK Germany

RID/ADR

HS Code Reference

2933990000

Personal Projective Equipment

Correct Usage

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

Meta Tag

provides coniferyl ferulate(CAS#:1911-78-0) 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

24254980

Abstract

The electronic circular dichroism (ECD) spectra of two sesquiterpenoids (1 and 2) related to oplopanone, obtained from a methanolic extract of the plant Serphidium stenocephalum (Artemisia stenocephala), were measured and reproduced by means of time-dependent density functional theory (TDDFT) calculations, establishing their absolute configuration. The application of ketone octant rule for carbonyl n-π* ECD band to compounds 1 and 2, which include an acyclic carbonyl group, was critically assessed. The peculiar oplopanone skeleton makes a straightforward application of the octant rule impossible, because of the uncertainty related to the shape of the so-called third nodal surface separating front and back octants. The various group contributions to the carbonyl n-π* ECD band were estimated with TDDFT calculations on selected molecular models obtained by consecutive dissections from 1.

© 2013 Wiley Periodicals, Inc.

KEYWORDS

TDDFT calculations; electronic circular dichroism; ketone octant rule; natural products; structure elucidation

Title

Absolute configuration of oplopanone derivatives from Serphidium stenocephalum: ECD spectra of acyclic ketones with front-octant contributions.

Author

Shafiq N1, Saleem M, Riaz N, Tousif MI, Jabbar A, Tareen RB, Pescitelli G

Publish date

2014 Jan


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