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874745-42-3 | (6AR,10AR)-6A,7,10,10A-TETRAHYDRO-3-[5-(1H-IMIDAZOL-1-YL)-1,1-DIMETHYLPENTYL]-6,6,9-TRIMETHYL-6H-DIBENZO[B,D]PYRAN-1-OL HYDROCHLORIDE
CAS No: 874745-42-3 Catalog No: AG00GTBI MDL No:
Product Description
Catalog Number:
AG00GTBI
Chemical Name:
(6AR,10AR)-6A,7,10,10A-TETRAHYDRO-3-[5-(1H-IMIDAZOL-1-YL)-1,1-DIMETHYLPENTYL]-6,6,9-TRIMETHYL-6H-DIBENZO[B,D]PYRAN-1-OL HYDROCHLORIDE
CAS Number:
874745-42-3
IUPAC Name:
(6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
InChI:
InChI=1S/C26H36N2O2/c1-18-8-9-21-20(14-18)24-22(29)15-19(16-23(24)30-26(21,4)5)25(2,3)10-6-7-12-28-13-11-27-17-28/h8,11,13,15-17,20-21,29H,6-7,9-10,12,14H2,1-5H3/t20-,21-/m1/s1
InChI Key:
RZGSWWCABDVBGX-NHCUHLMSSA-N
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
408.278g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.586g/mol
Monoisotopic Mass:
408.278g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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