·

·

3-EPI-SHIDASTERONE

Year of first report:	2012
Formula:	C₂₇H₄₂O₆
Molecular weight:	462
Occurence in plants:
Serratula wolffii [Asteraceae] »
Occurence in animals:

3-EPI-SHIDASTERONE

MASS SPECTRUM

HR-ESI-MS	462.29702, calculated 462.29759 for C₂₇H₄₂O₆
CI-MS (NH₃) m/z
ESI-MS m/z (relative intensity %)	485 (15) (M+Na)⁺, 463 (41) (M+H), 445 (68) (M+H-H₂O), 427 (13) (M+H-2H₂O), 99 (100) (C₂₂-C₂₇)

CARBON NMR

PROTON NMR

CD₃OD
01	43.2
02	72.3
03	75.5
04	33.8
05	57.6
06	204.8
07	122.1
08	168.2
09	36.1
10	39.7
11	21.7
12	32.5
13	48.5
14	85.3
15	31.9
16	21.9
17	52.0
18	18.3
19	24.0
20	77.2
21	20.9
22	85.7
23	28.6
24	39.8
25	81.9
26	28.5
27	29.1

CD₃OD
01-Ha	1.08 (dd, 13.5, 11.9)
01-He	2.09 (d, 13.5, 4.2)
02-Ha	3.64 (ddd, 11.9, 8.8, 4.2)
03-He	3.35 (m)
04-Ha	1.56 (m)
04-He	1.76 (m)
05-H	2.09 (dd, 13.5, 4.2)
07-H	5.82 (d, 2.7)
09-H	3.17 (ddd, 11.7, 7.4, 2.7)
11-Ha	1.70 (m)
11-He	1.82 (m)
12-Ha	2.16 (td, 13.0, 4.5)
12-He	1.86 (m)
15-Ha	1.61 (m)
15-Hb	1.97 (dd, 12.7, 6.4)
16-Ha	1.82 (m)
16-Hb	2.02 (dtm, 12.6, 10.0)
17-H	2.37 (t, 9.2)
18-Me	0.85 (s)
19-Me	0.95 (s)
21-Me	1.22 (s)
22-H	3.92 (dd, 8.4, 6.2)
23-Ha	1.76 (m)
23-Hb	1.90 (m)
24-Ha	1.75 (m)
24-Hb	1.75 (m)
26-Me	1.24 (s)
27-Me	1.25 (s)

PHYSICAL PROPERTIES

M.P.	°C ;
[α]_D²⁷	° (c ; MeOH)
IR (KBr) ν _max (cm^-1)
UV (MeOH) λ _max (log ε)	245 (3.84) ;

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

REFERENCES

First isolation

VÁNYOLÓS, A. et al. (2012) The Scientific World Journal article ID 651275, 5p

Permanent link to this datasheet: 3-EPI-SHIDASTERONE

see Important notice
© 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
designed by Cybersales a.s.

Powered by Cybersales

PRINTER READY | MEDIUM | WIDE