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ACHYRANTHESTERONE D

Year of first isolation: 2022
Formula:C28H44O8
Molecular weight:508
Occurence in plants:
Achyranthes bidentata [Amaranthaceae] » Images of Achyranthes bidentata Wikipedia: Achyranthes bidentata [Amaranthaceae]
Occurence in animals:
 
ACHYRANTHESTERONE D

STRUCTURE DESCRIPTORS

Isomeric SMILES
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C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@@H]4[C@@](CO)(O)[C@H](O)CC[C@]([H])(C)COC([H])=O)=O)([H])C[C@@H](O)[C@@H](O)C1 » JSMol: View in 3D
IUPAC Name(2S,5R,6S)-5,6,7-trihydroxy-2-methyl-6-((2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl formate
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
MUXGBYVZCREGKS-BKJXEUGISA-N
InChIInChI=1S/C28H44O9/c1-16(13-37-15-30)4-5-24(34)27(35,14-29)23-7-9-28(36)18-10-20(31)19-11-21(32)22(33)12-25(19,2)17(18)6-8-26(23,28)3/h10,15-17,19,21-24,29,32-36H,4-9,11-14H2,1-3H3/t16-,17?,19-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1

MASS SPECTRUM

EI-MS m/z (relative intensity %)
CI-MS (NH3) m/z  
HRESIMS (negative ion mode) m/z 

CARBON NMR

PROTON NMR

CD3OD
0138.4
0268.5
0368.4
0432.8
0551.8
06203.0
07122.1
08166.4
0934.8
1039.1
1121.5
1232.2
1348.5
1484.6
1532.4
1622.0
1750.4
1818.3
1924.8
2077.1
2121.8
2277.3
2330.2
2432.1
2533.2
2668.9
2717.7
28162.1
CD3OD
01-Ha1.94 (m)
01-Hb2.07 (m)
02-Ha4.20 (m)
03-He4.25 (m)
04-Ha1.80 (m)
04-Hb1.80 (m)
05-H3.04 (dd, 3.8, 13.2)
07-H6.28 (d, 2.1)
09-H3.62 (m)
11-Ha1.94 (m)
11-Hb1.80 (m)
12-Ha2.63 (dt, 4.0, 13.0)
12-Hb2.07 (m)
15-Ha2.17 (m)
15-Hb2.07 (m)
16-Ha2.48 (m)
16-Hb1.94 (m)
17-H2.94 (t,9.2)
18-Me1.25 (s)
19-Me1.10 (s)
21-Me1.59 (s)
22-H3.82 (d, 10.5)
23-Ha1.80 (m)
23-Hb1.53 (m)
24-Ha1.94 (m)
24-Hb1.36 (m)
25-H1.80 (m)
26-Ha4.13 (dd, 4.5, 10.8)
26-Hb3.99 (dd, 6.6, 10.8)
27-Me0.86 (d, 6.7)
28-H8.29 (s)

PHYSICAL PROPERTIES

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

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationWANG, Y.Y. et al. (2022) Chin. J. Nat. Med. 20(7), 551-560 Search more

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© Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Prague, Czech Republic
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