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5β-HYDROXYPOSTSTERONE

Year of first isolation: 2009
Formula:C21H30O6
Molecular weight:378
Occurence in plants:
Cyanotis longifolia [Commelinaceae] » Images of Cyanotis longifolia Wikipedia: <br />
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Occurence in animals:
 
5β-HYDROXYPOSTSTERONE

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C1[C@]2([C@@](C[C@H]([C@H]1O)O)(C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2C(=O)C)O)C)O)C » JSMol: View in 3D
IUPAC Name 
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
QKUHHEPYBLMREK-KIZBPUAYSA-N
InChIInChI=1S/C21H30O6/c1-11(22)12-5-7-20(26)14-8-17(25)21(27)10-16(24)15(23)9-19(21,3)13(14)4-6-18(12,20)2/h8,12-13,15-16,23-24,26-27H,4-7,9-10H2,1-3H3/t12-,13+,15+,16-,18-,19-,20-,21-/m1/s1

MASS SPECTRUM

HR-MS
EI-MS m/z (relative intensity %)
CI-MS (NH3) m/z 396 [M+NH4]+, 379 [MH]+, 361 [MH-H2O]+

CARBON NMR

PROTON NMR

D2O
0135.3
0270.2
0371.6
0437.9
0583.1
06n.d.
07123.6
08n.d.
0941.0
1047.8
1124.3
1232.9
1351.4
1488.1
1534.0
1624.0
1762.3
1819.9
1919.1
20220.4
2134.0
D2O
01-Ha1.72
01-He1.82
02-Ha4.15 (m)
03-He4.14 (m)
04-Ha1.89
04-He2.07
07-H6.02 (d, 2.2)
09-H3.20 (m, w1/2 = 22)
11-Ha1.78*
11-He1.96*
12-Ha1.92*
12-He2.19*
15-Ha2.12*
15-Hb1.76*
16-Ha1.92*
16-Hb2.22*
17-H3.33 (dd, 9.5, 7.9)
18-Me0.65 (s)
19-Me0.94 (s)
21-Me2.26 (s)

PHYSICAL PROPERTIES

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

CHROMATOGRAPHY

RP-HPLCcolumn YMC C18, 250 mm x 20.2 mm i.d, solvent MeOH/H2O 1:1, flow-rate 10 ml/min, Ret 14.5 min (20E : 12.4 min)
HPLC
NP-HPLCcolumn Zorbax-SIL 250 mm x 4.6 mm i.d., solvent cyclohexane-isopropanol-water, flow-rate 1 mL/min, Ret 5.7 min (20E : 15.8 min)
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationCROUZET, S. et al. (2009) Arch. Insect Biochem. Physiol. 72, 194-209 Search more

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
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