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CYASTERONE 3-ACETATE

Year of first report:1995
Formula:C31H46O9
Molecular weight:562
Occurence in plants:
Ajuga reptans var. atropurpurea [Lamiaceae (alt. Labiatae)] » Images of Ajuga reptans var. atropurpurea Wikipedia: <br />
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Occurence in animals:
 
CYASTERONE 3-ACETATE

MASS SPECTRUM

CI-MS (NH3) m/z 
MS (thermospray) m/z580 [M+NH4]+, 563 [M+H]+, 562 [M]+, 545 [M+H-H2O]+, 520 [M+NH4-CH3COOH]+, 502 [M-CH3COOH]+
HR-MS 

CARBON NMR

PROTON NMR

C5D5N
0138.74 *
0266.10
0371.29
0429.65
0551.95
06202.13
07121.65
08166.21
0934.41
1038.62 *
1121.09 &
1231.91
1348.17
1484.11
1532.01
1621.36 &
1749.66
1817.91
1924.28
2076.77
2121.01
2273.99
2334.52
2448.70
2542.46
26179.18
2715.94
2879.83
2919.35
CH3CO-21.09, 170.57
C5D5N
01-Ha 
01-Hb 
02-Ha4.29 (br, w1/2 = 22.3)
03-He5.50 (br, w1/2 = 9.3)
04-Ha 
04-He 
05-H2.67 (dd, 13.2, 4.2)
07-H6.28 (d, 2.4)
09-Ha3.59 (brt, w1/2 = 23.0)
11-Ha 
11-He 
12-Ha 
12-He 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H2.87 (bt, 9.0)
18-Me1.25 (s )
19-Me1.09 (s )
21-Me1.58 (s )
22-H3.95 (br, w1/2 = 17)
23-Ha 
23-Hb 
24-H 
25-H2.38 (dq, 11.1, 6.9)
26-Me?
27-Me1.37 (d, 6.9)
28-H4.01 (dq, 9.3, 6.0)
29-Me1.31 (d, 6)
Ac-O1.97 (s )

PHYSICAL PROPERTIES

M.P. 
[α]D20 
IR (KBr) ν max (cm-1) 
UV (EtOH) λ max (log ε) 

CHROMATOGRAPHY

HPTLC 
TLC 
GLC 
HPLCRP Lichrospher 100 RP-18, 5 ?m, solvent iPrOH-H2O 1:10, 55░C, 1 ml.min-1, Retention time 20 min (coelutes with 20E3Ac); RP Spherisorb 10ODS2, 300 x 7.8 mm, solvent iPrOH-H2O 1.1:10, 55░C, 3 ml.min-1 Retention time 51.2 min (vs 39.1 min for 29NCy3Ac)

BIOLOGICAL ACTIVITIES

Drosophila melanogaster BII cell assay: EC50 = 4.3 x 10-7M

REFERENCES

First isolationCALGANO, M.P. et al. (1995) Eur. J. Entomol. 92, 287-294 Search more
BioactivitiesDINAN, L. et al. (1999) J. Computer-aided Mol. Design 13, 185-207 Search more

see Important notice
© UniversitÚ 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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