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191023-24-2 | 1H-[1,3]Dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one, 3,12-dihydro-5,5-dimethyl-12-(3,4,5-trimethoxyphenyl)-
CAS No: 191023-24-2 Catalog No: AG002EZS MDL No:
Product Description
Catalog Number:
AG002EZS
Chemical Name:
1H-[1,3]Dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one, 3,12-dihydro-5,5-dimethyl-12-(3,4,5-trimethoxyphenyl)-
CAS Number:
191023-24-2
Molecular Formula:
C24H24O9
Molecular Weight:
456.4420
IUPAC Name:
9,9-dimethyl-2-(3,4,5-trimethoxyphenyl)-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one
InChI:
InChI=1S/C24H24O9/c1-24(2)32-14-9-16-15(30-11-31-16)8-13(14)20(21-19(33-24)10-29-23(21)25)12-6-17(26-3)22(28-5)18(7-12)27-4/h6-9,20H,10-11H2,1-5H3
InChI Key:
UOVKZFDKJDTNPN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1C2=C(COC2=O)OC(Oc2c1cc1OCOc1c2)(C)C
NSC Number:
665485
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.142g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.447g/mol
Monoisotopic Mass:
456.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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