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Home > Aldehydes > 123331-83-9
123331-83-9 | (6aR)-3-(1,1-Dimethylheptyl)-6aβ,7,8,10aα-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carbaldehyde
CAS No: 123331-83-9 Catalog No: AG00A46E MDL No:
Product Description
Catalog Number:
AG00A46E
Chemical Name:
(6aR)-3-(1,1-Dimethylheptyl)-6aβ,7,8,10aα-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carbaldehyde
CAS Number:
123331-83-9
IUPAC Name:
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carbaldehyde
InChI:
InChI=1S/C25H36O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h13-16,19-20,27H,6-12H2,1-5H3/t19-,20-/m1/s1
InChI Key:
OTOVAVVWFRVAGQ-WOJBJXKFSA-N
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
384.266g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.56g/mol
Monoisotopic Mass:
384.266g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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