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Engeletin

CAS No.:
572-31-6
Catalog Number:
AG00EBHC
Molecular Formula:
C21H22O10
Molecular Weight:
434.3934
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$126
- +
10mg
98%
1 week
United States
$168
- +
25mg
98%
1 week
United States
$307
- +
50mg
98%
1 week
United States
$460
- +
100mg
98%
1 week
United States
$779
- +
Product Description
Catalog Number:
AG00EBHC
Chemical Name:
Engeletin
CAS Number:
572-31-6
Molecular Formula:
C21H22O10
Molecular Weight:
434.3934
MDL Number:
MFCD11113110
IUPAC Name:
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1
InChI Key:
VQUPQWGKORWZII-WDPYGAQVSA-N
SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
Properties
Complexity:
638  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
434.121g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
434.397g/mol
Monoisotopic Mass:
434.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Isolation and characterization of two flavonoids, engeletin and astilbin, from the leaves of Engelhardia roxburghiana and their potential anti-inflammatory properties. Journal of agricultural and food chemistry 20110511
[Studies on chemical constituents of rhizomes of Smilax china]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20081101
Inhibitors of aldose reductase and advanced glycation end-products formation from the leaves of Stelechocarpus cauliflorus R.E. Fr. Phytomedicine : international journal of phytotherapy and phytopharmacology 20070801
Properties