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119269-74-8

119269-74-8 | 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,8-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)-

CAS No: 119269-74-8 Catalog No: AG000IGY MDL No:

Product Description

Catalog Number:
AG000IGY
Chemical Name:
6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,8-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
CAS Number:
119269-74-8
Molecular Formula:
C25H28O4
Molecular Weight:
392.4874
IUPAC Name:
4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
InChI:
InChI=1S/C25H28O4/c1-14(2)5-7-16-11-17(26)12-22-23(16)20-13-28-24-18(8-6-15(3)4)21(27)10-9-19(24)25(20)29-22/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
InChI Key:
KBTBQFJRGUJDBI-UHFFFAOYSA-N
SMILES:
CC(=CCc1cc2c(cc1O)O[C@@H]1[C@H]2COc2c1ccc(c2CC=C(C)C)O)C

Properties

Complexity:
633  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.199g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
392.495g/mol
Monoisotopic Mass:
392.199g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

Literature

Title Journal
Prenylated isoflavanone from Erythrina eriotricha. Phytochemistry 19951201

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