Mrv1533004171514112D 26 31 0 0 0 0 999 V2000 6.0608 1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2676 1.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 1.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8745 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 0.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1255 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 -1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0206 -1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3612 -2.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5399 -2.2296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 -1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3729 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -1.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -2.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9288 -0.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -0.0835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 -0.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 -0.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 0.3566 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 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 7 15 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 5 23 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 7 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > NP0329882 > NP-MRD > COC(=O)C1CC23CCCN4CCC5(C24)C2=CC=CC=C2NC15CC3O > InChI=1S/C21H26N2O3/c1-26-17(25)14-11-19-7-4-9-23-10-8-20(18(19)23)13-5-2-3-6-15(13)22-21(14,20)12-16(19)24/h2-3,5-6,14,16,18,22,24H,4,7-12H2,1H3 > VWJIKULGAZNZAP-UHFFFAOYSA-N > C21H26N2O3 > 354.45 > 354.194342705 > 4 > 52 > 38.46924898928945 > 1 > 2 > 0 > 1 > methyl 20-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate > 1.79 > 0.9829838026666655 > -2.33 > 0 > 6 > 1 > 17.578812542078165 > 14.589837834464621 > 9.884292449869598 > 61.8 > 98.50840000000001 > 2 > 1 > 1.64e+00 g/l > methyl 20-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate > 0 > NP0329882 > methyl 20-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate $$$$