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Cimifugin

CAS No.:
37921-38-3
Catalog Number:
AG00BYG5
Molecular Formula:
C16H18O6
Molecular Weight:
306.3105
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$265
- +
10mg
99%
1 week
United States
$432
- +
Product Description
Catalog Number:
AG00BYG5
Chemical Name:
Cimifugin
CAS Number:
37921-38-3
Molecular Formula:
C16H18O6
Molecular Weight:
306.3105
MDL Number:
MFCD23105630
IUPAC Name:
(2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
InChI:
InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1
InChI Key:
ATDBDSBKYKMRGZ-ZDUSSCGKSA-N
SMILES:
COc1c2C[C@H](Oc2cc2c1c(=O)cc(o2)CO)C(O)(C)C
Properties
Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
306.11g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
306.314g/mol
Monoisotopic Mass:
306.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Comparative pharmacokinetics of prim-O-glucosylcimifugin and cimifugin by liquid chromatography-mass spectrometry after oral administration of Radix Saposhnikoviae extract, cimifugin monomer solution and prim-O-glucosylcimifugin monomer solution to rats. Biomedical chromatography : BMC 20121001
Biotransformation of prim-O-glucosylcimifugin by human intestinal flora and its inhibition on NO production and DPPH free radical. Journal of Asian natural products research 20120101
Phytochemical fingerprinting to thwart black cohosh adulteration: a 15 Actaea species analysis. Phytochemical analysis : PCA 20110101
Application of response surface methodology to optimise ultrasonic-assisted extraction of four chromones in Radix Saposhnikoviae. Phytochemical analysis : PCA 20110101
[Simultaneous determination of six components in Yupingfeng Decoction by high-performance liquid chromatography]. Nan fang yi ke da xue xue bao = Journal of Southern Medical University 20070601
Properties