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40248-04-2 | 4,N-Dimethyl-N-[(6aR,10aα)-6aβ,7,10,10a-tetrahydro-3-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-yl]benzenesulfonamide
CAS No: 40248-04-2 Catalog No: AG00D6AW MDL No:
Product Description
Catalog Number:
AG00D6AW
Chemical Name:
4,N-Dimethyl-N-[(6aR,10aα)-6aβ,7,10,10a-tetrahydro-3-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-1-yl]benzenesulfonamide
CAS Number:
40248-04-2
IUPAC Name:
N-[(6aR,10aR)-3-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl]-N,4-dimethylbenzenesulfonamide
InChI:
InChI=1S/C24H29NO4S/c1-15-6-9-18(10-7-15)30(27,28)25(5)21-13-17(26)14-22-23(21)19-12-16(2)8-11-20(19)24(3,4)29-22/h6-10,13-14,19-20,26H,11-12H2,1-5H3/t19-,20-/m1/s1
InChI Key:
VSSFOKPUHZWPJO-WOJBJXKFSA-N
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
427.182g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.559g/mol
Monoisotopic Mass:
427.182g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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