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7678-43-5 | Homopterocarpin
CAS No: 7678-43-5 Catalog No: AG005IBQ MDL No:
Product Description
Catalog Number:
AG005IBQ
Chemical Name:
Homopterocarpin
CAS Number:
7678-43-5
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
(6aS,11aS)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
InChI:
InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3/t14-,17-/m1/s1
InChI Key:
VPGIGLKLCFOWDN-RHSMWYFYSA-N
SMILES:
COc1ccc2c(c1)OC[C@H]1[C@@H]2Oc2c1ccc(c2)OC
NSC Number:
629831
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Stereoselective syntheses of substituted pterocarpans with anti-HIV activity, and 5-aza-/5-thia-pterocarpan and 2-aryl-2,3-dihydrobenzofuran analogues. | Bioorganic & medicinal chemistry 19961001 |
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