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UNIFLORSTERONE

Year of first isolation: 2002
Formula:C27H44O7
Molecular weight:480
Occurence in plants:
Rhaponticum uniflorum [Compositae] » Images of Rhaponticum uniflorum Wikipedia: <br />
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Occurence in animals:
 
UNIFLORSTERONE

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
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C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2[C@@H](C[C@]2([C@]1(CC[C@@H]2[C@](C)(C[C@H](CC(C)C)O)O)O)C)O)C » JSMol: View in 3D
IUPAC Name 
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
USEXUKLMRWKSSD-BXRZRDGUSA-N
InChIInChI=1S/C27H44O7/c1-14(2)8-15(28)11-26(5,33)22-6-7-27(34)17-10-18(29)16-9-19(30)20(31)12-24(16,3)23(17)21(32)13-25(22,27)4/h10,14-16,19-23,28,30-34H,6-9,11-13H2,1-5H3/t15-,16-,19+,20-,21+,22-,23+,24-,25+,26-,27+/m0/s1

MASS SPECTRUM

HR-MS
EI-MS m/z (relative intensity %)
CI-MS (NH3) m/z

CARBON NMR

PROTON NMR

CD3OD
0139.97
0268.43
0368.8
0433.17
0552.66
06206.64
07122.67
08165.65
0942.82
1039.83
1169.42
1243.67
1348.36
1484.85
1531.76
1621.44
1750.13
1824.58
1918.67
2077.76
2120.95
2237.56
2377.86
2430.38
2529.14
2622.72
2723.41
CD3OD
01-Ha1.36 (t, 12.8)
01-He2.57 (dd, 4.0, 12.8)
02-Ha3.98 (dt, 4.0, 12.8)
03-He3.95 (m)
04-Ha1.72 (m)
04-He1.77 (m)
05-H2.19 (dd, 4.0, 9.5)
07-H5. 79 (d, 2.0)
09-H3.13 (dd, 2.0, 6.8)
11-H4.09 (m)
12-Ha2.20 (m)
12-He2.15 (m)
15-Ha1.94 (m)
15-Hb1.58 (m)
16-Ha1.97 (m)
16-Hb1.75 (m)
17-H2.41 (m)
18-Me1.04 (s)
19-Me0.86 (s)
21-Me1.20 (s)
22-Ha1.45 (dd, 9.2, 2.0)
22-Hb1.33 (m)
23-H3.30 (brs)
24-Ha1.55 (m)
24-Hb1.55 (m)
25-H1.57 (m)
26-Me0.90 (m)
27-Me 0.91 (m)

PHYSICAL PROPERTIES

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

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationCHENG, J.-K. et al. (2002) Xibei Zhiwu Xuebao 22, 1457-1459 Search more
GeneralZHANG, Z.-P. et al. (2010) Chemistry & Biodiversity 7, 594-609 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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