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NIUXIXINSTERONE B

Year of first isolation: 2011
Formula:C33H46O8
Molecular weight:570
Occurence in plants:
Achyranthes bidentata [Amaranthaceae] » Images of Achyranthes bidentata  Wikipedia: <br />
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Occurence in animals:
 
NIUXIXINSTERONE B

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
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[ ChemSpider: search ]
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC=C2[C@@]1(CC[C@@H]2[C@]1(C)[C@H](O[C@H](O1)c1oc(cc1)CO)CCC(C)(C)O)C)C » JSMol: View in 3D
IUPAC Name 
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
GXMDSNXEHBYBSF-ZGFJTEIESA-N
InChIInChI=1S/C33H46O8/c1-30(2,38)12-11-28-33(5,41-29(40-28)27-9-6-18(17-34)39-27)21-10-13-31(3)19(21)7-8-20-22(31)14-24(35)23-15-25(36)26(37)16-32(20,23)4/h6-7,9,14,20-21,23,25-26,28-29,34,36-38H,8,10-13,15-17H2,1-5H3/t20-,21-,23-,25+,26-,28+,29+,31-,32+,33+/m0/s1

MASS SPECTRUM

HRESI-MS 593.3091 [M+Na] + (calculated for C33H46O8Na, 593.3090)
EI-MS m/z (relative intensity %)
CI-MS (NH3) m/z

CARBON NMR

PROTON NMR

C5D5N
0137.9
0268.0
0368.3
0432.3
0550.4
06202.4
07123.1
08146.5
0939.5
1040.3
1121.7
12122.1
13173.6
1448.9
1538.8
1626.2
1749.5
1825.4
1923.3
2084.9
2121.5
2283.4
2326.2
2442.2
2569.2
2629.6
2730.5
hmf-1'67.8
hmf-2'151.8
hmf-3'110.3
hmf-4'107.8
hmf-5'157.6
hmf-6'57.2
C5D5N
01-Ha2.05 (m)
01-He2.05 (m)
02-Ha4.17 (m)
03-He4.42 (br, s)
04-Ha1.90 (m)
04-He2.25 (m)
05-H2.97 (dd, 13.2, 4.0)
07-H6.16 (d, 2)
09-H2.90 (m)
11-Ha1.86 (m)
11-He2.19 (m)
12-H6.04 (m)
15-Ha1.83 (m)
15-Hb1.50 (m)
16-Ha1.78 (m)
16-Hb1.78 (m)
17-H3.11 (t, 9.2)
18-Me1.09 (s)
19-Me0.96 (s)
21-Me1.45 (s)
22-H4.23 (dd, 10.0, 1.6)
23-Ha2.03 (m)
23-Hb2.16 (m)
24-Ha2.17 (m)
24-Hb1.82 (m)
26-Me1.41 (s)
27-Me1.43 (s)
hmf-1'-H6.21 (s)
hmf-3'-H6.73 (d, 3.2)
hmf-4'-H6.45 (d, 3.2)
hmf-6'-H4.85 (2H, s)

PHYSICAL PROPERTIES

M.P.230-231 °C ;
[α]D20+ 46 ° (c 0.025 ; MeOH)
IR (KBr) ν max (cm-1)3472, 1655, 1460, 1380, 1059
UV ( MeOH) λ max (log ε)224 nm (4.05), 248 nm (3.23), 321 nm (1.09)

CHROMATOGRAPHY

HPLCRP-HPLC Column Pegasil ODS II (5 m, 10 x 250 mm), eluted with MeOH-H2O (9:20) (Ret. 38.6 min).
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationWANG, Q.H. et al. (2011) Molecules 16, 5989-5997 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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