Mrv1652304051723482D 29 35 0 0 1 0 999 V2000 5.7807 1.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 0.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 2.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 2.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 2.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 2.5408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5443 3.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 4.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1707 3.7278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2147 3.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 2.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 0.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 0.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9132 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 -0.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 1.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 1.7184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8623 1.6318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4800 2.3506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0637 2.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 3.0615 0.0000 C 0 0 1 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 6 1 1 0 0 0 11 12 1 0 0 0 0 12 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 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 5 24 1 0 0 0 0 25 24 1 1 0 0 0 11 25 1 0 0 0 0 26 25 1 6 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 16 27 1 0 0 0 0 27 28 1 6 0 0 0 29 28 1 6 0 0 0 11 29 1 0 0 0 0 14 29 1 0 0 0 0 M END > NP0332278 > NP-MRD > COC1=CC2=C(C=C1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 > 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 > RRKTZKIUPZVBMF-IBTVXLQLSA-N > C23H26N2O4 > 394.471 > 394.189257325 > 5 > 55 > 42.195273802491144 > 1 > 0 > 0 > 1 > (1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-9-one > 1.85 > 0.611178804333333 > -3.09 > 0 > 7 > 1 > 17.238964946382097 > 8.847883000497335 > 51.24 > 107.4341 > 2 > 1 > 3.22e-01 g/l > (1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-9-one > 0 > NP0332278 > Brucine sulfate heptahydrate $$$$