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POLYPOROID C

Year of first isolation: 2008
Formula:C28H46O7
Molecular weight:494
Occurence in plants:
Polyporus umbellatus [Fungi] » Images of Polyporus umbellatus Wikipedia: Polyporus umbellatus [Fungi]
Occurence in animals:
 
POLYPOROID C

STRUCTURE DESCRIPTORS

Canonical SMILESCC(C)C(C)CC(C(C)(C1C(CC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)O
Isomeric SMILES
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C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(C[C@@H]([C@@H]2[C@](C)([C@@H](CC(C(C)C)C)O)O)O)O)C)C  » JSMol: View in 3D
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(C[C@@H]([C@@H]2[C@](C)([C@@H](C[C@H](C(C)C)C)O)O)O)O)C)C  » JSMol: View in 3D
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(C[C@@H]([C@@H]2[C@](C)([C@@H](C[C@@H](C(C)C)C)O)O)O)O)C)C » JSMol: View in 3D
IUPAC Name(2S,3R,5R,9R,10R,13R,14S,16S,17R)-17-[(2R,3R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14,16-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID44449996
InChiKey
[ ChemIDPlus: search ]
RVRAYMBCPTYQKZ-UFOPSCFWSA-N
InChIInChI=1S/C28H46O7/c1-14(2)15(3)9-23(33)27(6,34)24-22(32)13-28(35)17-10-19(29)18-11-20(30)21(31)12-25(18,4)16(17)7-8-26(24,28)5/h10,14-16,18,20-24,30-35H,7-9,11-13H2,1-6H3/t15?,16-,18-,20+,21-,22-,23+,24-,25+,26+,27-,28+/m0/s1

MASS SPECTRUM

EI-MS m/z (relative intensity %)
FAB-MS m/z495 [M+H]+
HRFAB-MS495.33269 (calculated for C28H47O7 495.33218

CARBON NMR

PROTON NMR

CD3OD
0137.3
0268.7
0368.5
0432.8
0551.8
06206.3
07122.0
08167.0
0934.9
1039.2
1121.4
1232.4
1349.0
1483.1
1544.9
1673.5
1751.4
1818.9
1924.4
2080.9
2120.4
2274.9
2338.0
2436.9
2530.4
2616.3
2715.7
2821.6
CD3OD
01-H1.77 (ddd, 13.2, 4.3), 1.42 (t, 13.2)
02-Ha3.82 (dt, 11.3, 4.0)
03-He3.94 (brs, w1/2=6)
04-H1.70 (m)
05-H2.38 (dd, 12.4, 5.0)
07-H5.79 (d, 2.4)
09-H3.16 (m)
11-H1.80 (m), 1.72 (m)
12-H2.12 (m), 1.93 (m)
15-H2.25 (dd, 13.6, 7.6), 2.05 (dd, 13.6, 4.8)
16-H4.65 (m)
17-H2.43 (d, 7.6)
18-Me1.13 (s)
19-Me0.98 (s)
21-Me1.17(s)
22-H4.02 (dd, 10.3, 1.4)
23-H1.53 (m)
24-H1.74 (m)
25-H1.85 (m)
26-Me0.80 (d, 6.9)
27-Me0.86 (d, 6.8)
28-Me0.94 (d, 6.9)

PHYSICAL PROPERTIES

M.P.°C ;
[α]D2520.5 ° (c 0.10; MeOH)
IR (KBr) ν max (cm-1)3398, 2959, 2872, 1645, 1621, 1561, 1415, 1382, 1057
UV (EtOH) λ max (log ε)243 (0.6)

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationSUN, Y. et al. (2008) Bioorg. Med. Chem. Lett. 18, 3417-3420 Search more

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