Mrv1533004161502492D 40 46 0 0 0 0 999 V2000 4.8173 -5.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5283 -5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 -4.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 -5.5622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 -5.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 -4.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3464 -4.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 -3.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5515 -3.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -2.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 -2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4891 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2216 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -0.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8873 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1915 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 0.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -0.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 -1.2974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6645 -1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 -1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 -1.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4593 -2.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7051 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 -1.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0144 -2.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0774 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 -1.0710 0.0000 C 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 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 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 0 0 0 0 21 22 1 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 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 28 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 17 39 1 0 0 0 0 28 39 1 0 0 0 0 36 40 1 0 0 0 0 30 40 1 0 0 0 0 M END > NP0263132 > NP-MRD > CCC1=C(C(=O)OC(C)C2=CCC34OCCN(C)CC23CC(O)C23OC5(O)CCC2(C)C(CC=C43)C5)C(C)=CN1 > InChI=1S/C32H44N2O6/c1-6-23-26(19(2)17-33-23)27(36)39-20(3)22-9-10-31-24-8-7-21-15-30(37)12-11-28(21,4)32(24,40-30)25(35)16-29(22,31)18-34(5)13-14-38-31/h8-9,17,20-21,25,33,35,37H,6-7,10-16,18H2,1-5H3 > PRSLQQJCHZFAHB-UHFFFAOYSA-N > C32H44N2O6 > 552.712 > 552.319937145 > 6 > 84 > 61.17220809634538 > 1 > 3 > 0 > 0 > 1-{9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.1⁵,⁹.0¹,¹⁴.0²,¹¹.0⁶,¹¹]tricosa-2,21-dien-22-yl}ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate > 3.56 > 3.189426287999999 > -3.91 > 0 > 7 > 1 > 13.839308928343279 > 12.02328409045318 > 8.60671592989217 > 104.25000000000001 > 153.42489999999998 > 5 > 0 > 6.73e-02 g/l > 1-{9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.1⁵,⁹.0¹,¹⁴.0²,¹¹.0⁶,¹¹]tricosa-2,21-dien-22-yl}ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate > 0 > NP0263132 > 1-{9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.1⁵,⁹.0¹,¹⁴.0²,¹¹.0⁶,¹¹]tricosa-2,21-dien-22-yl}ethyl 2-ethyl-4-methyl-1h-pyrrole-3-carboxylate $$$$