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SUPERECDYSONE C

Year of first isolation: 2023
Formula:C30H48O7
Molecular weight:520
Occurence in plants:
Dianthus superbus [Caryophyllaceae] » Images of Dianthus superbus Wikipedia: Dianthus superbus [Caryophyllaceae]
Occurence in animals:
 
SUPERECDYSONE C

STRUCTURE DESCRIPTORS

Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@@H]4[C@](C)([C@H](O)CCC(C)(O)C)O)=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-10,13-dimethyl-6-oxo-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-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 ]
HIYWFGLDAHTBDP-FCFTYOORSA-N
InChIInChI=1S/C27H40O5/c1-15(21(29)10-11-25(2,3)32)17-6-7-18-22-19(9-13-26(17,18)4)27(5)12-8-16(28)14-20(27)23(30)24(22)31/h7,15-17,21,28-30,32H,6,8-14H2,1-5H3/t15-,16-,17+,21+,26+,27+/m0/s1

MASS SPECTRUM

HRESIMS (positive ion mode) m/z 543.3289 [M+Na]+ , calculated for C30H48O7Na+ 543.3298

CARBON NMR

PROTON NMR

CD3OD
0128.8
01'174.3
0224.9
02'66.5
0368.7
03'19.3
0429.0
0551.8
06204.2
07120.3
08167.0
0932.6
1036.0
1120.3
1230.8
1347.3
1483.8
1530.6
1625.6
1747.4
1814.8
1922.9
2042.1
2111.9
2273.9
2323.9
2440.9
2570.0
2628.2
2727.7
CD3OD
01-Ha1.42 (m)
01-Hb1.76 (m)
02-Ha1.81 (m)
02-He1.93 (m)
03-He5.12 (br, s)
04-Ha1.87 (m)
04-Hb1.71 (m)
05-H2.34 (m)
07-H5.86 (d, 2.2)
09-H3.26 (m)
11-Ha1.77 (m)
11-Hb1.69 (m)
12-Ha2.14 (m)
12-Hb1.85 (m)
15-Ha2.00 (m)
15-Hb1.63 (m)
16-Ha2.00 (m)
16-Hb1.54 (m)
17-H2.07 (m)
18-Me0.76 (s)
19-Me1.01 (s)
20-H1.79 (m)
21-Me0.97 (d, 6.7)
22-H3.62 (d, 10.6)
23-Ha1.59 (m)
23-Hb1.37 (m)
24-Ha1.81 (m)
24-Hb1.45 (m)
26-Me1.24 (s)
27-Me1.22 (s)
[2]'-H4.30 (m)
[3]'-Me1.42 (d, 7.0)

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

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© 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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