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SUPERECDYSONE E

Year of first isolation: 2023
Formula:C33H52O8
Molecular weight:576
Occurence in plants:
Dianthus superbus [Caryophyllaceae] » Images of Dianthus superbus
Occurence in animals:
 
SUPERECDYSONE E

STRUCTURE DESCRIPTORS

Isomeric SMILES
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C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@]4([H])[C@@]5(C)OC(C)(C)O[C@@H]5CCC(C)(O)C)=O)([H])C[C@@H](OC([C@H](O)C)=O)CC1 » JSMol: View in 3D
IUPAC Name(3S,5R,10R,13R,14S,17S)-14-hydroxy-17-((4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2R)-2-hydroxypropanoate
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
NODWAUACUKVCHA-USQVYKFYSA-N
InChIInChI=1S/C33H52O8/c1-19(34)27(36)39-20-9-14-30(6)21-10-15-31(7)25(11-16-33(31,38)22(21)18-24(35)23(30)17-20)32(8)26(12-13-28(2,3)37)40-29(4,5)41-32/h18-21,23,25-26,34,37-38H,9-17H2,1-8H3/t19-,20+,21?,23+,25+,26-,30-,31-,32-,33-/m1/s1

MASS SPECTRUM

HRESIMS (positive ion mode) m/z 599.3554 [M+Na]+ , calculated for C33H52O8Na+ 599.3560

CARBON NMR

PROTON NMR

CD3OD
0128.8
01'174.3
0224.9
02'66.6
0368.7
03'19.3
0429.1
0551.7
06204.5
07120.5
08166.9
0933.4
1036.20
1120.2
1231.1
1347.4
1484.0
1530.3
1621.1
1749.1
1816.4
1923.0
2084.5
2121.2
2281.9
2323.4
2440.8
2569.7
2628.1
2727.6
CD3OD
01-Ha1.37 (m)
01-Hb1.76 (m)
02-Ha1.81 (m)
02-He1.90 (m)
03-He5.12 (br, s)
04-Ha1.87 (m)
04-Hb1.72 (m)
05-H2.35 (m)
07-H5.85 (d, 2.2)
09-H3.25 (m)
11-Ha1.76 (m)
11-Hb1.68 (m)
12-Ha2.14 (m)
12-Hb1.86 (m)
15-Ha2.00 (m)
15-Hb1.64 (m)
16-Ha2.07 (m)
16-Hb1.90 (m)
17-H2.35 (m)
18-Me0.85 (s)
19-Me1.00 (s)
20-H-
21-Me1.20 (s)
22-H3.71 (m)
23-Ha1.75 (m)
23-Hb1.56 (m)
24-Ha1.76 (m)
24-Hb1.52 (m)
26-Me1.23 (s)
27-Me1.22 (s)
[2]"-Me1.34 (s)
[2]'-H4.30 (q, 6.8)
[3]"-Me1.41 (s)
[3]'-Me1.42 (d, 7.0)

PHYSICAL PROPERTIES

 

CHROMATOGRAPHY


BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationHOU, X. et al. (2023) Phytochemistry 212, 113710 Search more

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© Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Prague, Czech Republic
© Institut National de la Recherche Agronomique, Versailles, France
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