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tracheloside

CAS No.:
33464-71-0
Catalog Number:
AG00CHLR
Molecular Formula:
C27H34O12
Molecular Weight:
550.5517
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Product Description
Catalog Number:
AG00CHLR
Chemical Name:
tracheloside
CAS Number:
33464-71-0
Molecular Formula:
C27H34O12
Molecular Weight:
550.5517
MDL Number:
MFCD00870631
IUPAC Name:
(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
InChI:
InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1
InChI Key:
LWYAMIUSVGPFKS-CGLYQLBNSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
799  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
550.205g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
550.557g/mol
Monoisotopic Mass:
550.205g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Optimum yields of dibenzylbutyrolactone-type lignans from Cynareae fruits, during their ripening, germination and enzymatic hydrolysis processes, determined by on-line chromatographic methods. Phytochemical analysis : PCA 20120101
From retrospective assessment to prospective decisions in natural product isolation: HPLC-SPE-NMR analysis of Carthamus oxyacantha. Journal of natural products 20111128
Simultaneous quantification of tracheloside and trachelogenin in rat plasma using liquid chromatography/tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110501
Complementary fragmentation pattern analysis by gas chromatography-mass spectrometry and liquid chromatography tandem mass spectrometry confirmed the precious lignan content of Cirsium weeds. Journal of chromatography. A 20101001
An anti-estrogenic lignan glycoside, tracheloside, from seeds of Carthamus tinctorius. Bioscience, biotechnology, and biochemistry 20061101
[Studies on the chemical constituents in herbs of Hemistepta lyrata]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060501
Lack of significant inhibitory effects of a plant lignan tracheloside on 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP)-induced mammary carcinogenesis in female Sprague-Dawley rats. Cancer letters 20031028
Properties