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POLYPORUSTERONE H

Year of first isolation: 2025
Formula:C30H48O7
Molecular weight:520
Occurence in plants:
Aspergillus sp. BCXT-22.1 (Fungi) » Images of Aspergillus sp. BCXT-22.1 (Fungi)
Occurence in animals:
 
POLYPORUSTERONE H

STRUCTURE DESCRIPTORS

Isomeric SMILES
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[ ChemSpider: search ]
C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@]4([H])[C@](C)([C@H](O)C[C@@H](C)C(C)C)O)=O)([H])C[C@@H](OC(C)=O)[C@@H](O)C1 » JSMol: View in 3D
IUPAC Name(2S,3R,5R,10R,13R,14S,17S)-17-((2R,3R,5R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl)-2,14-dihydroxy-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 acetate
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
HSLORDIWKOAAHI-RSVVLZDVSA-N
InChIInChI=1S/C30H48O7/c1-16(2)17(3)12-26(34)29(7,35)25-9-11-30(36)20-13-22(32)21-14-24(37-18(4)31)23(33)15-27(21,5)19(20)8-10-28(25,30)6/h13,16-17,19,21,23-26,33-36H,8-12,14-15H2,1-7H3/t17-,19?,21+,23+,24-,25+,26-,27-,28-,29-,30-/m1/s1

MASS SPECTRUM

HR-ESI-MS m/z555.3080 [M+Cl]- (calc. 555.3094 for C30H48ClO7); 521.3479 [M+H]+ (calc. 521.3473 for C30H49O7)

CARBON NMR

PROTON NMR

C5D5N
0138.5
0266.0
0371.2
0429.5
0551.9
06202.5
07121.4
08166.5
0934.3
1038.5
1121.0
1231.9
1348.0
1484.0
1531.6
1621.3
1749.8
1817.8
1924.2
2076.8
2121.4
2274.0
2336.7
2435.5
2533.6
2620.1
2718.6
2815.1
3-OAc170.6
 21.0
CD3OD
0138.4
0267.1
0371.8
0430.3
0552.6
06205.4
07122.0
08168.3
0935.2
1039.2
1121.4
1232.5
1348.7
1485.2
1531.8
1621.6
1750.4
1818.1
1924.3
2077.9
2121.0
2275.2
2337.1
2436.2
2534.7
2620.4
2718.8
2815.2
3-OAc172.6
 21.1
C5D5N
01-Ha1.82 (m)
01-Hb2.23 (dd, 3.0, 13.5)
02-Ha4.28 (m)
03-He5.46 (brs)
04-Ha1.96 (m)
04-Hb1.78 (m)
05-H2.62 (m)
07-H6.22 (s)
09-H3.56 (brs)
11-Ha1.84 (m)
11-Hb1.72 (m)
12-Ha2.55 (m)
12-Hb2.00 (m)
15-Ha2.16 (m)
15-Hb1.92 (m)
16-Ha2.44 (m)
16-Hb2.06 (m)
17-H2.88 (m)
18-Me1.20 (s)
19-Me1.05 (s)
21-Me1.57 (s)
22-H3.90 (d, 10.5)
23-Ha1.62 (m)
23-Hb1.44 (m)
24-H1.93 (m)
25-H1.49 (m)
26-Me0.80 (d, 6.5)
27-Me0.78 (d, 6.5)
28-Me0.84 (d, 6.5)
 3-OAc1.99 (s)
CD3OD
01-Ha1.95 (m)
01-Hb1.45 (t, 12.5)
02-Ha4.00 (dt, 4.0, 12.0)
03-He5.17 (brd, 2.5)
04-Ha1.80 (m)
04-Hb 
05-H2.26 (dd,5.0, 12.5)
07-H5.85 (d, 2.5)
09-H3.18 (m)
11-Ha2.01 (m)
11-Hb1.73 (m)
12-Ha2.16 (m)
12-Hb1.90 (m)
15-Ha2.00 (m)
15-Hb1.61 (m)
16-Ha1.84 (m)
16-Hb1.73 (m)
17-H2.38 (m)
18-Me0.92 (s)
19-Me1.02 (s)
21-Me1.20 (s)
22-H3.49 (dd, 1.5, 11.0)
23-Ha1.32 (m)
23-Hb1.27 (m)
24-H1.62 (m)
25-H1.57 (m)
26-Me0.93 (d,6.5)
27-Me0.89 (d, 6.5)
28-Me0.88 (d, 6.5)
 3-OAc2.13 (s)

PHYSICAL PROPERTIES

M.P.— °C ;
[α]D26- 27.5° (c 0.08 ; MeOH)
IR (KBr) ν max (cm-1)3370, 2963, 29.34, 1648, 1443, 1377, 1032
UV (MeOH) λ max (log ε)241 nm (3.96) ;

CHROMATOGRAPHY

GLC
HPLC
TLC
HPTLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationANH, D.V. et al. (2025) Chem. Biodivers. e01213, https://doi.org//10.1002/cbdv.202501213 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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