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Home > Other Heterocycles > 140669-89-2
140669-89-2 | Bicyclo[3.2.1]oct-3-ene-2,8-dione, 7-(3,4-dimethoxyphenyl)-3-methoxy-6-methyl-5-(2-propen-1-yl)-, (1S,5S,6R,7R)-
CAS No: 140669-89-2 Catalog No: AG001CNL MDL No:
Product Description
Catalog Number:
AG001CNL
Chemical Name:
Bicyclo[3.2.1]oct-3-ene-2,8-dione, 7-(3,4-dimethoxyphenyl)-3-methoxy-6-methyl-5-(2-propen-1-yl)-, (1S,5S,6R,7R)-
CAS Number:
140669-89-2
Molecular Formula:
C21H24O5
Molecular Weight:
356.4123
IUPAC Name:
(1S,5S,6R,7R)-7-(3,4-dimethoxyphenyl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
InChI:
InChI=1S/C21H24O5/c1-6-9-21-11-16(26-5)19(22)18(20(21)23)17(12(21)2)13-7-8-14(24-3)15(10-13)25-4/h6-8,10-12,17-18H,1,9H2,2-5H3/t12-,17+,18-,21-/m1/s1
InChI Key:
IYEJIWMVJJRSMG-RQJAOHDJSA-N
SMILES:
C=CC[C@@]12C=C(OC)C(=O)[C@H](C2=O)[C@@H]([C@H]1C)c1ccc(c(c1)OC)OC
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
356.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.418g/mol
Monoisotopic Mass:
356.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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