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BLECHNOSIDE B

Year of first isolation: 1986
Formula:C33H54O10
Molecular weight:610
Occurence in plants:
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Occurence in animals:
 
BLECHNOSIDE B

STRUCTURE DESCRIPTORS

Canonical SMILESCC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CCC(C4)O)C)C)O)C(CCC(C)(C)OC5C(C(C(C(O5)CO)O)O)O)O
Isomeric SMILES
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C1[C@]2([C@@H](C[C@H](C1)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)[C@@H](CCC(C)(C)O[C@H]1OC([C@@H](C(C1O)O)O)CO)O)O)C)C » JSMol: View in 3D
IUPAC Name(3S,5R,10R,13R,14S)-3,14-dihydroxy-17-[(2S,3R)-3-hydroxy-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID44231823
InChiKey
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OVBHAHZBRSIVHE-GBUHTVPMSA-N
InChIInChI=1S/C33H54O10/c1-17(23(36)9-10-30(2,3)43-29-28(40)27(39)26(38)25(16-34)42-29)19-8-13-33(41)21-15-24(37)22-14-18(35)6-11-31(22,4)20(21)7-12-32(19,33)5/h15,17-20,22-23,25-29,34-36,38-41H,6-14,16H2,1-5H3/t17-,18-,19?,20?,22-,23+,25+,26+,27-,28+,29-,31+,32+,33+/m0/s1

MASS SPECTRUM

DEI m/z (relative intenzity %)DCI-MS gives ions at m/z 593 [M+1-H2O] (0.19%); 431 [M+1-glucose] (10%)
EI-MS m/z (relative intensity %) 
HR-MS 

CARBON NMR

PROTON NMR

C5D5N
0133.2
0229.1 *
0364.1
0429.5 *
0551.7
06203.3
07121.4
08166.0
0934.6
1037.0
1121.5
1231.7
1348.1
1484.1
1531.7
1626.7
1748.3
1815.8
1924.4
2043.2
2113.6
2273.9
2324.7
2439.6
2577.4
2627.4
2727.6
glu-198.8
glu-275.4
glu-378.6
glu-472.1
glu-578.6
glu-663.4
C5D5N
01-Ha 
02-Ha 
02-He 
03-He 
04-Ha 
04-He 
05-H2.95
07-H6.17 (d, 1)
09-Ha3.46
11-Ha 
11-He 
12-Ha 
12-He 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H 
18-Me0.70 (s )
19-Me1.05 (s )
21-Me1.25 (d, 6.5)
22-Hb4.10
23-Ha 
24-Ha 
24-Hb 
26-Me1.29 (s )
27-Me1.39 (s )
glu sign.: 
glu- 1H5.02 (d, 7.5)
glu-(2-6)H3.9 - 4.6

PHYSICAL PROPERTIES

M.P. 
[α]D20 
IR (KBr) ν max (cm-1)~ 3440 (OH), 1660 (CO)
UV (EtOH) λ max (log ε)243 (4.03)

CHROMATOGRAPHY

HPTLC 
TLC 
GLC 
HPLCNP-HPLC, column Spherisorb S GP (50 cm x 8 mm) solvent CHCl3-EtOH (88:12)

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationSUKSAMRARN, A. et al. (1986) Phytochemistry 25, 1301-1304 Search more

see Important notice
© Universit√© 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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