IUPAC Name :(1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2(7),3,5,14-tetraen-9-one monohydrate
InChI :InChI=1/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
Std.InChI: InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
InChIKey :RRKTZKIUPZVBMF-IBTVXLQLBR
Std.InChIKey: RRKTZKIUPZVBMF-IBTVXLQLSA-N
SMILES :O=C7N2c1cc(OC)c(OC)cc1[C@@]64[C@@H]2[C@@H]3[C@@H](OC/C=C5\[C@@H]3C[C@@H]6N(CC4)C5)C7
MDL: MFCD00005942
Molar Refractivity :105.88 ± 0.4 cm3 (est)
Parachor :791.3 ± 6.0 cm3 (est)
Index of Refraction :1.685 ± 0.03 (est)
Surface Tension :65.3 ± 5.0 dyne/cm (est)
Density :1.41 ± 0.1 g/cm3 (est)
Polarizability :41.97 ± 0.5 10-24cm3 (est)