Welcome to online ecdysteroids database ! . .
Access data · History · Contact

POLYPODOAUREIN

Year of first isolation: 1974
Formula:C28H46O7
Molecular weight:494
Occurence in plants:
Polypodium aureum [Polypodiaceae] » Images of Polypodium aureum Wikipedia: Polypodium aureum [Polypodiaceae]
Occurence in animals:
 
POLYPODOAUREIN

STRUCTURE DESCRIPTORS

Canonical SMILESCC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)OC)O)O)O
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@@]([C@@H](CCC(C)(C)OC)O)(C)O)O)C)C » JSMol: View in 3D
IUPAC Name(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID101488250
InChiKey
[ ChemIDPlus: search ]
WEJATQXDTFVZBO-IJYGRGDZSA-N
InChIInChI=1S/C28H46O7/c1-24(2,35-6)10-9-23(32)27(5,33)22-8-12-28(34)17-13-19(29)18-14-20(30)21(31)15-25(18,3)16(17)7-11-26(22,28)4/h13,16,18,20-23,30-34H,7-12,14-15H2,1-6H3/t16-,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1

MASS SPECTRUM

CI-MS (NH3) m/z 
EI-MS m/z (relative intensity %)476 (M-18) (0.08), 458 (0.8), 440 (3.8), 426 (4.3), 363 (42), 345 (75), 327 (50), 301 (19), 300(20), 285 (20), 269 (30), 267 (22), 213 (17), 113 (91), 99 (67), 95 (81), 81 (100).
HR-MS 

CARBON NMR

PROTON NMR

C5D5N
01 
02 
03 
04 
05 
06 
07 
08 
09 
10 
11 
12 
13 
14 
15 
16 
17 
18 
19 
20 
21 
22 
23 
24 
25 
26 
27 
CD3OD
01-Ha 
01-He 
02-Ha 
03-He 
04-Ha 
04-He 
05-H 
07-H 
11-Ha 
11-He 
12-Ha 
12-He 
14-H 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H 
18-Me 
19-Me 
20-H 
21-Me 
22-H 
23-Ha 
23-Hb 
24-Ha 
24-Hb 
25-H 
26-Me 
27-Me 

PHYSICAL PROPERTIES

M.P.251-253 °C
[α]D20 
IR (KBr) ν max (cm-1) 
UV (EtOH) λ max (log ε)244 (4.0)

CHROMATOGRAPHY

HPTLC 
TLC 
GLC 
HPLC 

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationJIZBA, J. et al. (1974) Phytochemistry 13, 1915-1916 Search more

see Important notice
© 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
designed by Cybersales a.s.
Powered by Cybersales
PRINTER READY | MEDIUM | WIDE