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Home > Other Heterocycles > 95733-04-3
95733-04-3 | (2s,2's,8's)-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'h,3h-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one
CAS No: 95733-04-3 Catalog No: AG00H7PF MDL No:
Product Description
Catalog Number:
AG00H7PF
Chemical Name:
(2s,2's,8's)-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'h,3h-spiro[1-benzofuran-2,9'-furo[2,3-h]chromen]-3-one
CAS Number:
95733-04-3
Molecular Formula:
C30H22O9
Molecular Weight:
526.4903
IUPAC Name:
(2S,2'S,8'S)-4,5',6-trihydroxy-2',8'-bis(4-hydroxyphenyl)spiro[1-benzofuran-2,9'-2,3,4,8-tetrahydrofuro[2,3-h]chromene]-3-one
InChI:
InChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)37-22)30(29(38-24)15-3-7-17(32)8-4-15)28(36)25-21(35)11-18(33)12-23(25)39-30/h1-8,11-13,22,29,31-35H,9-10H2/t22-,29-,30+/m0/s1
InChI Key:
ISQNBCHHDNWNEQ-TVNVSJRUSA-N
SMILES:
Oc1ccc(cc1)[C@@H]1CCc2c(O1)c1c(cc2O)O[C@H]([C@]21Oc1c(C2=O)c(O)cc(c1)O)c1ccc(cc1)O
Properties
Complexity:
914
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
526.126g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
526.497g/mol
Monoisotopic Mass:
526.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Inhibitory mechanism of daphnodorins for human chymase. | Biochemical and biophysical research communications 20010518 |
| Inhibition of human immunodeficiency virus type 1 (HIV-1) replication by daphnodorins. | Antiviral research 19940901 |
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