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Home Other Building Blocks Forsythoside B

Forsythoside B

CAS No.:
81525-13-5
Catalog Number:
AG00G4C3
Molecular Formula:
C34H44O19
Molecular Weight:
756.7018
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%(HPLC)
In Stock USA
United States
$87
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5mg
99%(HPLC)
In Stock USA
United States
$169
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10mg
99%(HPLC)
In Stock USA
United States
$219
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25mg
99%(HPLC)
In Stock USA
United States
$419
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50mg
99%(HPLC)
In Stock USA
United States
$653
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100mg
99%(HPLC)
In Stock USA
United States
$1086
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Product Description
Catalog Number:
AG00G4C3
Chemical Name:
Forsythoside B
CAS Number:
81525-13-5
Molecular Formula:
C34H44O19
Molecular Weight:
756.7018
MDL Number:
MFCD03424245
IUPAC Name:
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1
InChI Key:
JMBINOWGIHWPJI-UNSOMVRXSA-N
SMILES:
OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Properties
Complexity:
1190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
13  
Defined Bond Stereocenter Count:
1  
Exact Mass:
756.248g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
756.707g/mol
Monoisotopic Mass:
756.248g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Literature
Title Journal
Phenylpropanoid glycosides from plant cell cultures induce heme oxygenase 1 gene expression in a human keratinocyte cell line by affecting the balance of NRF2 and BACH1 transcription factors. Chemico-biological interactions 20120830
Forsythoside B protects against experimental sepsis by modulating inflammatory factors. Phytotherapy research : PTR 20120701
Antioxidant and antigenotoxic properties of compounds isolated from Marrubium deserti de Noé. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20111201
Metabolic differentiations and classification of Verbascum species by NMR-based metabolomics. Phytochemistry 20111101
Properties