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PALYTHONE A

Year of first isolation: 2016
Formula:C27H44O6
Molecular weight:464
Occurence in plants:
 
Occurence in animals:
Palythoa mutuki [Zoanthid] » Images of Palythoa mutuki
PALYTHONE A

STRUCTURE DESCRIPTORS

Canonical SMILESCC12CCCC(C1C(=O)C=C3C2CCC4(C3(CCC4C(C)(C(CCC(C)(C)O)O)O)O)C)O
Isomeric SMILES
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C1[C@]2([C@@H]([C@@H](CC1)O)C(=O)C=C1C2CC[C@]2([C@]1(CC[C@@H]2[C@]([C@@H](CCC(C)(C)O)O)(O)C)O)C)C » JSMol: View in 3D
IUPAC Name(4R,5S,9R,10R,13R,14S,17S)-4,14-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID138453972
InChiKey
[ ChemIDPlus: search ]
RGQVZPRFMDWMFZ-YMJCLNJISA-N
InChIInChI=1S/C27H44O6/c1-23(2,31)12-10-21(30)26(5,32)20-9-14-27(33)17-15-19(29)22-18(28)7-6-11-24(22,3)16(17)8-13-25(20,27)4/h15-16,18,20-22,28,30-33H,6-14H2,1-5H3/t16-,18+,20-,21+,22-,24+,25+,26+,27+/m0/s1

MASS SPECTRUM

HRESI-MS m/z487.3028 [M+Na]+ 487.3030 calculated for C27H44O6Na

CARBON NMR

PROTON NMR

C5D5N
0134.3
0235.7
0331.7
0469.2
0557.3
06202.0
07121.4
08166.3
0934.0
1036.8
1120.9
1232.0
1348.2
1484.2
1531.7
1621.5
1750.1
1817.9
1923.9
2076.9
2121.7
2277.6
2327.5
2442.7
2569.6
2630.1
2730.0
C5D5N
01-H1.11 (m), 1.88 (m)
02-H2.08 (m), 1.81 (m)
03-H2.17, 1.92 (dd, 9.4, 2.7)
04-H3.85 (m)
05-H2.32 (dd, 13.3, 4.0)
07-H6.25 (d, 2.8)
09-H3.72 (ddd, 12.8, 6.0, 2.8)
11-Ha1.80 (m)
11-He1.70 (m)
12-Ha2.60 (td, 12.8, 4.7)
12-He2.06 (m)
15-Ha2.00 (m)
15-Hb1.85 (m)
16-Ha2.48 (m)
16-Hb2.10 (m)
17-H3.03 (t, 9.5)
18-Me1.25 (s)
19-Me1.01 (s)
21-Me1.61 (s)
22-H3.90 (dd, 9.8, 3.3)
23-Ha2.14 (m)
23-Hb1.86 (m)
24-Ha2.28 (dd, 11.8, 3.4)
24-Hb1.85 (m)
26-Me1.40 (s)
27-Me1.40 (s)

PHYSICAL PROPERTIES

M.P.°C ;
[α]D26- 11 ° (c 0.05; MeOH)
IR (KBr) ν max (cm-1)3372 (OH), 1650 (ketone) 1089 (C-O)
UV (MeOH) λ max (log ε)245 (3.50) ;

CHROMATOGRAPHY

 

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationLEE, J.-C. et al. (2016) Mar. Drugs 14, 151 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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