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119269-76-0 | 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
CAS No: 119269-76-0 Catalog No: AG000II8 MDL No:
Product Description
Catalog Number:
AG000II8
Chemical Name:
6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
CAS Number:
119269-76-0
Molecular Formula:
C25H28O4
Molecular Weight:
392.4874
IUPAC Name:
4,10-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)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
InChI Key:
HOGHBEDTLGAJAS-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)ccc2c1OC[C@@H]1[C@H]2Oc2c1ccc(c2CC=C(C)C)O)C
NSC Number:
626645
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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