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HERKESTERONE

Year of first report:2004
Formula:C27H42O8
Molecular weight:494
Occurence in plants:
Serratula wolffii [Asteraceae] » Images of Serratula wolffii Wikipedia: <br />
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Occurence in animals:
 
HERKESTERONE

MASS SPECTRUM

FAB-MS m/z (relative intensity %)495 [M+H]+ (9), 477 [M+H-H2O]+ (10), 459 [M+H-2H2O]+ (23), 443 (26), 440 (11), 422 (8), 407 (49), 394 (17), 378 (9), 361 (26), 359 (10), 323 (18), 300 (100), 199 (11)
EI-MS m/z (relative intensity %)
HRE-SIMS m/z494.2885 (calculated 494.2880 for C27H42O8)

CARBON NMR

PROTON NMR

CD3OD
0134.5
0268.6
0370.3
0439.2
0580.5
06203.1
07117.9
08156.5
09137.9
1046.4
11134.3
1239.2
1348.0
1484.5
1531.5
1621.8
1750.7
1818.2
1926.5
2077.8
2120.9
2278.6
2327.5
2442.5
2571.4
2629.1
2729.9
DMSO-d6
01 
02 
03 
04 
0578.4
06 
07116.5
08 
09136.3
10 
11131.7
1237.5
1346.3
1482.0
15 
1620.4
1748.7
1817.3
1925.8
2075.5
2120.7
2276.3
2326.1
2441.4
2568.7
2629.0
2730.0
CD3OD
01-Ha2.05
01-He2.05
02-Ha3.83 (ddd, 10.7, 5.4, 3.2)
03-He3.88 (q, 3.0)
04-Ha1.77 (dd, ?, 3.4)
04-He1.92 (dd, 14.5, 2.8)
05-H-
07-H5.83 (t, 1.2)
09-H-
11-H6.34 (dt, 6.7, 2.0)
12-Ha2.726 (dd, 18.0, 1.8)
12-He2.436 (dd, 18.2, 6.7)
15-Ha1.80
15-Hb1.98
16-Ha1.79
16-Hb1.99
17-H2.49 (t, 9.0)
18-Me0.90 (s)
19-Me1.05 (s)
21-Me1.208 (s)
22-H3.35 (dd, 10.3, 1.8)
23-Ha1.30
23-Hb1.68
24-Ha1.44 (ddd, 13.3, 11.6, 4.2)
24-Hb1.81
26-Me1.19 (s)
27-Me1.206 (s)
DMSO-d6
01-Ha 
01-He 
02-Ha 
03-He 
04-Ha 
04-He 
05-H 
07-H5.65 (s)
09-H 
11-H6.18 (s, br)
12-Ha2.59 (d, 17.8)
12-He2.29 (dd, 17.8, 6.6)
15-Ha 
15-Hb 
16-Ha1.60*
16-Hb1.89*
17-H2.36 (t, 9.3)
18-Me0.77 (s)
19-Me0.96 (s, b)
21-Me1.075 (s)
22-H3.13 (d, 10.2)
23-Ha 
23-Hb 
24-Ha 
24-Hb 
26-Me1.06 (s)
27-Me1.09 (s)

PHYSICAL PROPERTIES

M.P.218 °C (dec.) ;
[α]D28+ 59 ° (c 0.1 ; DMSO)
IR (KBr) ν max (cm-1)3560-3200, 1650, 1602
UV (MeOH) λ max (log ε)296 (4.02) ;

CHROMATOGRAPHY

LCLow pressure RP, MeOH-H2O (45:55)
HPLCNP on silica (Zorbax-SIL), solvent CH2Cl2-iPrOH-H2O (125:40:3)
GLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationHUNYADI, A. et al. (2004) J. Nat. Prod. 67, 1072-1072 Search more

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© Université 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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