Welcome to online ecdysteroids database ! . .
Access data · History · Contact

CYATHSTERONE B

Year of first isolation: 2022
Formula:C33H54O8
Molecular weight:578
Occurence in plants:
Cyathula officinalis [Asteraceae] » Images of Cyathula officinalis Wikipedia: <br />
<b>Warning</b>:  preg_replace() [<a href='function.preg-replace'>function.preg-replace</a>]: No ending delimiter '&' found in <b>/usr/local/www/apache22/data/ecdybase.org/www/sheet.inc</b> on line <b>63</b><br />
Occurence in animals:
 
CYATHSTERONE B

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]5C[C@@H](CC)[C@@H](CO)[C@@H](OCCCC)O5)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-((R)-1-((2R,4R,5S,6S)-6-butoxy-4-ethyl-5-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-1-hydroxyethyl)-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 ]
LLNNORAXLYAWHE-MCQWVERUSA-N
InChIInChI=1S/C33H54O8/c1-6-8-13-40-29-20(18-34)19(7-2)14-28(41-29)32(5,38)27-10-12-33(39)22-15-24(35)23-16-25(36)26(37)17-30(23,3)21(22)9-11-31(27,33)4/h15,19-21,23,25-29,34,36-39H,6-14,16-18H2,1-5H3/t19-,20-,21?,23+,25-,26+,27+,28-,29+,30-,31-,32-,33-/m1/s1

MASS SPECTRUM

HR-ESI-MS (positive) 579.3894 [M+H]+ calculated for C33H55O8 579.3897

CARBON NMR

PROTON NMR

C5D5N
0137.8
0267.9 30
0367.9 31
0432.3 32
0551.2 33
06203.3
07121.6
08165.8
0934.2
1038.6
1120.9
1231.7
1347.6
1484.0
1530.5
1621.5
1749.9
1817.8
1924.3
2075.9
2122.3
2280.4
2329.8
2435.2
2547.7
26103.5
2757.9
2825.3
2910.2
3068.6
3132.1
3219.4
3313.8
C5D5N
01-Ha1.87 (overlapped)
01-He2.09 (overlapped)
02-Ha4.08 (dt, 11.7, 6.7, 3.6)
03-He4.16 (d, 1.7)
04-Ha1.73 (m)
04-He1.98 (dt, 13.8, 7.0, 3.4)
05-H2.96 (m)
07-H6.20 (d, 2.1)
09-H3.54 (m)
11-Ha1.86 (overlapped)
11-He1.68 (m)
12-Ha1.92 (dd, 12.2, 2.9)
12-He2.56 (m)
15-Ha1.88 (m)
15-Hb1.84 (m)
16-Ha2.32 (m)
16-Hb2.03 (m)
17-H2.95 (m)
18-Me1.07 (s)
19-Me1.03 (s)
21-Me1.49 (s)
22-H3.61 (d, 11.4)
23-Ha1.68 (overlapped)
23-Hb1.27 (m)
24-H1.54 (m)
25-H1.42 (dd, 11.0, 8.7)
26-H4.89 (d, 8.5)
27-CH2OH4.22 (d, 10.1); 3.98 (dd, 10.9, 3.0)
28-H1.65 (dt, 10.6, 6.8, 3.5); 1.26 (m)
29-Me0.71 (t, 7.4)
30-H 4.03 (m), 3.52 (dd, 6.8, 2.6);
31-H 1.96 (m), 1.50 (m)
32-H168 (m), 1.27 (m)
33-Me0.74 (t, 7.3)

PHYSICAL PROPERTIES

M.P.
[α]D25- 22.5 ° (c 0.02 ; MeOH)
IR (KBr) ν max (cm-1)3427, 2959, 2934, 2875, 1654, 1461, 1383, 1320, 1073, 1052, 879
UV (MeOH) λ max (log ε)245 (—) ;

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationYANG, L.F. et al. (2022) Phytochemistry 196, 113101 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
designed by Cybersales a.s.
Powered by Cybersales
PRINTER READY | MEDIUM | WIDE