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Home Other Building Blocks Oxypaeoniflorin

Oxypaeoniflorin

CAS No.:
39011-91-1
Catalog Number:
AG00BXVZ
Molecular Formula:
C23H28O12
Molecular Weight:
496.4612
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$332
- +
10mg
98%
1 week
United States
$537
- +
Product Description
Catalog Number:
AG00BXVZ
Chemical Name:
Oxypaeoniflorin
CAS Number:
39011-91-1
Molecular Formula:
C23H28O12
Molecular Weight:
496.4612
MDL Number:
MFCD00869478
IUPAC Name:
[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
InChI:
InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
InChI Key:
FCHVXNVDFYXLIL-WRJNSLSBSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccc(cc3)O)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O
UNII:
3A7O4NBD5S
Properties
Complexity:
879  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Defined Bond Stereocenter Count:
0
Exact Mass:
496.158g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
496.465g/mol
Monoisotopic Mass:
496.158g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Pharmacokinetic properties of paeoniflorin, albiflorin and oxypaeoniflorin after oral gavage of extracts of Radix Paeoniae Rubra and Radix Paeoniae Alba in rats. Journal of ethnopharmacology 20100720
[Studies on HPLC fingerprint of cortex moutan]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20061001
Properties