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.
24254980
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.
TDDFT calculations; electronic circular dichroism; ketone octant rule; natural products; structure elucidation
Absolute configuration of oplopanone derivatives from Serphidium stenocephalum: ECD spectra of acyclic ketones with front-octant contributions.
Shafiq N1, Saleem M, Riaz N, Tousif MI, Jabbar A, Tareen RB, Pescitelli G
2014 Jan
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