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22-OXOCYASTERONE

Year of first isolation: 1992
Formula:C29H42O8
Molecular weight:518
Occurence in plants:
Ajuga iva [Lamiaceae (alt. Labiatae)] » Images of Ajuga iva Wikipedia: <br />
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Occurence in animals:
 
22-OXOCYASTERONE

MASS SPECTRUM

CI-MS (NH3) m/z536 (M+H+NH3)+, 519 (M+H)+, 501 (M+H-18)+, 380 (M+H+NH3-C22--C29)+, 363 (M+H-C22--C29)+, 345 (M+H-C22--C29-18)+
EI-MS m/z (relative intensity %) 

CARBON NMR

PROTON NMR

C5D5N
01 
02 
03 
04 
05 
06 
07 
08 
09 
10 
11 
12 
13 
14 
15 
16 
17 
18 
19 
20 
21 
22 
23 
24 
25 
26 
27 
28 
29 
CD3OD
01-Ha 
01-Hb 
02-Ha3.83 (m, w1/2=22)
03-He3.95 (m, w1/2=8)
04-Ha 
04-He 
05-H 
07-H5.8 (d, 2.5)
09-Ha3.16 (m, w1/2=22)
11-Ha 
11-He 
12-Ha 
12-He 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H2.64 (7,9)
18-Me0.87 (s)
19-Me0.96 (s)
21-Me1.39 (s)
23-Ha2.9 (dd, 18, 6)
23-Hb2.98 (dd, 18, 5.6)
24-H 
25-H2.5 (m)
26-Me1.19 (d, 7)
28-H4.22 (dq, 9, 6)
29-Me1.42 (d, 6)
D2O
01-Ha1.4
01-Hb1.85
02-Ha3.99 (m, w1/2=22)
03-He4.07 (m, w1/2=8)
04-Ha1.75
04-He1.75
05-H2.36
07-H5.96 (d, 2.5)
09-Ha3.12 (m, w1/2=22)
11-Ha1.7
11-He1.8
12-Ha 
12-He 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H 
18-Me0.87 (s)
19-Me1.00 (s)
21-Me1.49 (s)
23-Ha2.95
23-Hb2.95
24-H2.35
25-H2.6 (m)
26-Me1.20 (d, 7)
28-H4.39 (dq, 9, 6)
29-Me1.42 (d, 6)

PHYSICAL PROPERTIES

M.P. 
[α]D20 
IR (KBr) ν max (cm-1)1750 (gama-lactone), 1702 (CO), 1652 (cyclohexenone) ;
UV (EtOH) λ max (log ε) 

CHROMATOGRAPHY

HPTLC 
TLC 
GLC 
HPLC1-Retention time 13.6 min [Zorbax-Sil 250 mm x 4.6 mm i.d., solvent CH2Cl2-iPrOH-H2O, 125:25:2 v/v/v, flow-rate 1 ml.min-1] (20E : 45.6 min); 2-Retention time 8.2 min [Zorbax-Sil 250 mm x 4.6 mm i.d., solvent CH2Cl2-iPrOH-H2O 125:40:3 v/v/v, flow-rate 1 ml.min-1] (20E : 16.9 min); 3-Retention time 35.4 min [Waters Novapak C18, 100 mm x 8 mm i.d., solvent CH3CN-1? trifluoroacetic acid in H2O 23:77 v/v, flow-rate 1 ml.min-1] (20E : 5.7 min)

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationWESSNER, H. et al. (1992) Phytochemistry 31, 3785-3788 Search more

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© Universit√© Pierre & Marie Curie, Paris 6, France
© Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Prague, Czech Republic
© Institut National de la Recherche Agronomique, Versailles, France
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