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104905-12-6 | 6-Isoquinolinol,decahydro-5,8a-dimethyl-2-(1,5,9-trimethyldecyl)-, (4aR,5R,6R,8aR)-rel-
CAS No: 104905-12-6 Catalog No: AG007G3H MDL No:
Product Description
Catalog Number:
AG007G3H
Chemical Name:
6-Isoquinolinol,decahydro-5,8a-dimethyl-2-(1,5,9-trimethyldecyl)-, (4aR,5R,6R,8aR)-rel-
CAS Number:
104905-12-6
Molecular Formula:
C24H47NO
Molecular Weight:
365.6361
IUPAC Name:
(4aR,5R,6R,8aR)-2-(6,10-dimethylundecan-2-yl)-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-ol
InChI:
InChI=1S/C24H47NO/c1-18(2)9-7-10-19(3)11-8-12-20(4)25-16-14-22-21(5)23(26)13-15-24(22,6)17-25/h18-23,26H,7-17H2,1-6H3/t19?,20?,21-,22-,23-,24+/m1/s1
InChI Key:
YSACNAXEZHCMEQ-BCSMNWKXSA-N
SMILES:
CC(CCCC(C)C)CCCC(N1CC[C@H]2[C@@](C1)(C)CC[C@H]([C@@H]2C)O)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
365.366g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.646g/mol
Monoisotopic Mass:
365.366g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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