LBF20406CV04

From Jcbl.jp
Jump to: navigation, search
LipidBank Top
(トップ)
Fatty acid
(脂肪酸)
Glycerolipid
(グリセロ脂質)
Sphingolipid
(スフィンゴ脂質)
Journals
(雑誌一覧)
How to edit
(ページの書き方)


Upper classes: LB LBF



4-epi Clavulone III
LBF20406CV04.png
Structural Information
Systematic Name Methyl-4R- (trans-5,cis-7) -4-acetoxy-7- [2R-acetoxy-2- (cis-2-octenyl) -5-oxo-3-cyclopentenylidene] -5-heptenoate te
Common Name
  • 4-epi Clavulone III
  • Methyl-4R- (5E,7Z) -4-acetoxy-7- [2R-acetoxy-2- (2Z-octenyl) -5-oxo-3-cyclopentenylidene] -5-heptenoate te
Symbol
Formula C25H34O7
Exact Mass 446.230453442
Average Mass 446.53326000000004
SMILES O(C(C)=O)[C@@](C1=CC=C[C@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation [ α ]D -10.0°(C 0.06, CHCl3) IwashimaMet al.
Refractive Index
Solubility
Source 4-Epiclavulones were isolated from Japanese soft coral, Stolonifer Clavularia viridis Quoy and Gaimard. Iwashima_M et al.
Chemical Synthesis 4-Epiclavulone III was synthesized from clavulone III. Iwashima_M et al.
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra EIMS m/z 446 (M+). HREIMS m/z 446.2328 for C25}H_{34O7 (M+), calcd 446.2305. IwashimaMet al.
UV Spectra λ EtOH
max
   229 nm(log ε 4.23),295 nm(log ε 4.14) IwashimaMet al.
IR Spectra ν film
max
  1738,1698 and 1229cm-1 IwashimaMet al.
NMR Spectra 1H-NMR(500MHz,CDCl3) δ ppm0.88(3H,t,J=7.1Hz),1.21-1.34(6H,m),1.94(2H,q,J=7.3Hz),1.99-2.07(2H,m),2.03(3H,s),2.09(3H,s),2.40(2H,t,J=7.4Hz),2.63(1H,dd,J=7.3,14.2Hz),2.87(1H,dd,J=8.1,14.2Hz),3.68(3H,s),5.21(1H,ddd,J=7.3,8.1,10.9Hz),5.45(1H,dd,J=5.4,5.8Hz),5.53(1H,dt,J=7.3,10.9Hz),6.01(1H,dd,J=5.4,15.6Hz),6.35(1H,d,J=6.1Hz),6.51(1H,d,J=11.3Hz),7.51(1H,d,J=6.1Hz),7.73(1H,ddd,J=1.3,11.3,15.6Hz). IwashimaMet al. 13C-NMR(125MHz,CDCl3) δ ppm14.0,21.0,21.7,22.5,27.4,29.0,29.2,29.7,31.5,35.6,51.7,72.4,85.2,121.3,126.3,133.4,134.7,135.6,136.7,141.0,156.1,169.7,170.2,173.2,194.1. IwashimaMet al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20406CV04 See above. Iwashima_M et al. 1999


Personal tools