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Home Other Building Blocks Praeruptorin B

Praeruptorin B

CAS No.:
81740-07-0
Catalog Number:
AG00G61H
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G61H
Chemical Name:
Praeruptorin B
CAS Number:
81740-07-0
MDL Number:
MFCD09839133
IUPAC Name:
[8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
InChI:
InChI=1S/C24H26O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7+,14-8+
InChI Key:
PNTWXEIQXBRCPS-FNCQTZNRSA-N
Properties
Complexity:
835  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
426.168g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.465g/mol
Monoisotopic Mass:
426.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Chemopreventive effects of Peucedanum praeruptorum DUNN and its major constituents on SGC7901 gastric cancer cells. Molecules (Basel, Switzerland) 20101109
[Studies on chemical constituents in roots of Peucedanum praeruptorum]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050501
Isolation of praeruptorins A and B from Peucedanum praeruptorum Dunn. and their general pharmacological evaluation in comparison with extracts of the drug. Farmaco (Societa chimica italiana : 1989) 20010101
Properties