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ECDYSTERONE 25-O-β-D-GLUCOPYRANOSYL-6'-β-D-GLUCOPYRANOSIDE

Year of first isolation: 2026
Formula:C39H64O17
Molecular weight:804
Occurence in plants:
Paris yunnanensis » Images of Paris yunnanensis
Paris mairei » Images of Paris mairei
Occurence in animals:
 
ECDYSTERONE 25-O-β-D-GLUCOPYRANOSYL-6'-β-D-GLUCOPYRANOSIDE

STRUCTURE DESCRIPTORS

Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]		C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@]4([H])[C@](C)([C@H](O)CCC(C)(O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H]([C@@H]([C@H]6O)O)O)[C@H]([C@@H]([C@H]5O)O)O)C)O)=O)([H])C[C@@H](O)[C@@H](O)C1 » JSMol: View in 3D
IUPAC Name(2S,3R,5R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methyl-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)heptan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]		SHUGBTUVYXARKO-ZGUSXKJJSA-N
InChIInChI=1S/C39H64O17/c1-35(2,56-34-32(50)30(48)28(46)24(55-34)16-53-33-31(49)29(47)27(45)23(15-40)54-33)9-8-26(44)38(5,51)25-7-11-39(52)18-12-20(41)19-13-21(42)22(43)14-36(19,3)17(18)6-10-37(25,39)4/h12,17,19,21-34,40,42-52H,6-11,13-16H2,1-5H3/t17?,19-,21+,22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33+,34-,36+,37+,38+,39+/m0/s1

MASS SPECTRUM

HR-ESI-MS 827.4046 (M+Na)+, calculated for C39H64O17Na+ 827.4036
CI-MS (NH3) m/z
EI-MS m/z (relative intensity %)

CARBON NMR

PROTON NMR

C5D5N
0138.0
0268.2
0368.1
0432.5
0551.4
06203.6
07121.7
08166.1
0934.4
1038.7
1121.1
1232.0
1348.1
1484.4
1531.7
1621.5
1750.0
1818.0
1924.5
2076.9
2121.7
2277.6
2326.8
2439.8
2577.6
2627.4
2727.5
[25-O-Glc] 01'98.7
[25-O-Glc] 02'75.2
[25-O-Glc] 03'78.5
[25-O-Glc] 04'71.7
[25-O-Glc] 05'76.9
[25-O-Glc] 06'70.2
[6'-O-Glc] 01''105.3
[6'-O-Glc] 02''75.2
[6'-O-Glc] 03''78.5
[6'-O-Glc] 04''71.6
[6'-O-Glc] 05''78.4
[6'-O-Glc] 06''62.7
C5D5N
01-Ha1.92 (m)
01-He2.14 (m)
02-Ha4.20 (o)
03-He4.20 (o)
04-Ha1.84 (o)
04-He2.05 (m)
05-H3.01 (dd, 13.2, 3.4)
07-H6.21 (d, 2.5)
09-H3.56 (m)
11-Ha1.71 (m)
11-He1.84 (o)
12-Ha1.98 (m)
12-He1.84 (o)
15-Ha2.53 (td, 12.8, 4.6)
15-Hb2.11 (o)
16-Ha2.40 (m)
16-Hb2.11 (o)
17-H2.95 (t, 8.9)
18-Me1.19 (s)
19-Me1.06 (s)
21-Me155 (s)
22-H3.84 (o)
23-Ha2.20 (m)
23-Hb1.73 (m)
24-Ha2.32 (dd, 12.7, 3.5)
24-Hb1.89 (m)
26-Me1.42 (s)
27-Me1.36 (s)
[25-O-Glc] 01'4.95 (d, 7.7)
[25-O-Glc] 02'3.87 (o)
[25-O-Glc] 03'4.02 (o)
[25-O-Glc] 04'4.22 (m)
[25-O-Glc] 05'3.99 (m)
[25-O-Glc] 06'4.75 (m), 4.30 (dd, 11.4, 5.7)
[6'-O-Glc] 01''5.08 (d, 7.8)
[6'-O-Glc] 02''3.87 (o)
[6'-O-Glc] 03''4.02 (o)
[6'-O-Glc] 04''4.12 (m)
[6'-O-Glc] 05''3.90 (m)
[6'-O-Glc] 06''4.50 (dd, 11.7, 2.2; 4.35 (dd, 11.8, 5.1)

PHYSICAL PROPERTIES

M.P.— °C ;
[α]D25+ 12.83 ° (c 0.12 ; MeOH)
IR (KBr) ν max (cm-1)
UV (MeOH) λ max (log ε)202 (4.8) ; 242 (5.0); 307 (3.7)

CHROMATOGRAPHY

TLC
HPLC
HPTLC
GLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationLING, S.S. et al. (2026) Fitoterapia 190, 107185, https://doi.org/10.1016/j.fitote.2026.107185 Search more

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