Mrv1652309022222222D 30 33 0 0 1 0 999 V2000 5.5327 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 0.5797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1997 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9858 -0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 -0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 0.8972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1160 1.7214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7608 2.2359 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3206 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 1.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0272 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 1.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1628 2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 -1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 0.6071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9266 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1313 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.9619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7013 1.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 1.1873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1448 1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 8 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 14 24 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 14 27 1 1 0 0 0 27 28 1 0 0 0 0 10 29 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 1 0 0 0 M END > NP0162042 > NP-MRD > CCN(CC)C1=CC(=O)[C@]2([C@@H](Cl)C[C@]34N(C)CC[C@]23CC(=O)C(OC)=C4OC)[C@H]1O > InChI=1S/C22H31ClN2O5/c1-6-25(7-2)13-10-16(27)22(18(13)28)15(23)12-21-19(30-5)17(29-4)14(26)11-20(21,22)8-9-24(21)3/h10,15,18,28H,6-9,11-12H2,1-5H3/t15-,18-,20+,21+,22+/m0/s1 > GSPWOIUNBWNJMP-NIXKLGBSSA-N > C22H31ClN2O5 > 438.95 > 438.1921498 > 7 > 61 > 45.2877742180774 > 1 > 1 > 0 > 1 > (1R,1'S,5R,6'S,8'S)-8'-chloro-4-(diethylamino)-5-hydroxy-2',3'-dimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0^{1,6}]dodecane]-2',3-diene-2,4'-dione > 1.99 > 0.14923475233333428 > -2.04 > 0 > 4 > 1 > 16.604886953081998 > 13.608854632397204 > 6.750790070110585 > 79.31 > 117.65389999999995 > 5 > 1 > 3.97e+00 g/l > (1R,1'S,5R,6'S,8'S)-8'-chloro-4-(diethylamino)-5-hydroxy-2',3'-dimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0^{1,6}]dodecane]-2',3-diene-2,4'-dione > 0 > NP0162042 > (1r,1's,5r,6's,8's)-8'-chloro-4-(diethylamino)-5-hydroxy-2',3'-dimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione $$$$