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WILFORINE

CAS No.:
11088-09-8
Catalog Number:
AG008TNF
Molecular Formula:
C43H49NO18
Molecular Weight:
867.8451
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$332
- +
10mg
98%
1 week
United States
$532
- +
Product Description
Catalog Number:
AG008TNF
Chemical Name:
WILFORINE
CAS Number:
11088-09-8
Molecular Formula:
C43H49NO18
Molecular Weight:
867.8451
MDL Number:
MFCD01726768
IUPAC Name:
[20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
InChI:
InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3
InChI Key:
ZOCKGJZEUVPPPI-UHFFFAOYSA-N
SMILES:
CC(=O)OCC12C(OC(=O)C)C(OC(=O)c3ccccc3)C3C(C42OC(C(C(C1OC(=O)C)OC(=O)C)C4OC(=O)C)(C)COC(=O)c1cccnc1CCC(C(=O)O3)C)(C)O
Properties
Complexity:
1800  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
867.295g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
867.854g/mol
Monoisotopic Mass:
867.295g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
253A^2
Undefined Atom Stereocenter Count:
12  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Biological activity and safety of Tripterygium extract prepared by sodium carbonate extraction. Molecules (Basel, Switzerland) 20120917
Determination of four pyridine alkaloids from Tripterygium wilfordii Hook. f. in human plasma by high-performance liquid chromatography coupled with mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20111115
Preparative separation of a terpenoid and alkaloids from Tripterygium wilfordii Hook. f. using high-performance counter-current chromatography. Comparison of various elution and operating strategies. Journal of chromatography. A 20081212
Properties