MR 1452 MS

(1R,9R,13R)-10-(furan-3-ylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;methanesulfonic acid

Also Known As: MR 1452 MS|NIH 8859|UM 979|(-)-2-(3-Furylmethyl)-2'-hydroxy-5,9-alpha-dimethyl-6,7-benzomorphan-methansulfonat [German]|2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-furanylmethyl)-, (2R-(2-alpha,6-alpha,11R*))-, methanesulfonate (salt)|Mr 1452 methanefulfonate, (2R-(2alpha,6alpha,11R*))-isomer|(-)-2-(3-Furylmethyl)-2'-hydroxy-5,9-alpha-dimethyl-6,7-benzomorphan-methansulfonat|(1R,9R,13R)-10-(Furan-3-ylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;methanesulfonic acid|2,6-Methano-3-benzazocin-8-ol, 3-(3-furanylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2R,6R,11R)-, methanesulfonate (salt)|2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-furanylmethyl)-,(2R-(2-alpha,6-alpha,11R*))-, methanesulfonate (salt)|Methanesulfonic acid--(2R,6R,11R)-3-[(furan-3-yl)methyl]-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol (1/1)|Methanesulfonic acid--3-[(furan-3-yl)methyl]-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol (1/1)

Molecular Formula	C20H27NO5S
Molecular Weight	393.16098 g/mol
LogP	3.2136
Topological Polar Surface Area	90.98 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	393.16098
Monoisotopic Mass	393.16098
Heavy Atoms	27
Complexity	885.1008

Chemical Identifiers

CAS Number	61849-16-9
SMILES	C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)C)C=C(C=C3)O.CS(=O)(=O)O