Mrv1533004161519262D 52 58 0 0 0 0 999 V2000 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -2.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -3.6793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -4.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 -0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5140 -0.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7943 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4504 1.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6064 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8867 1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1383 0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9504 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 -1.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1095 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2974 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2049 -3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 -3.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2686 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8928 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 -2.6160 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 2 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 1 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 2 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 11 29 1 0 0 0 0 15 29 1 0 0 0 0 29 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 32 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 43 51 1 0 0 0 0 51 52 1 0 0 0 0 M END > NP0330179 > NP-MRD > CC(C1C(O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C1CCC(C)CN1C > InChI=1S/C40H67NO11/c1-19-7-10-27(41(6)17-19)20(2)30-28(43)16-26-24-9-8-22-15-23(11-13-39(22,4)25(24)12-14-40(26,30)5)50-38-36(34(47)32(45)29(18-42)51-38)52-37-35(48)33(46)31(44)21(3)49-37/h8,19-21,23-38,42-48H,7,9-18H2,1-6H3 > AQVXATDVSVXGRW-UHFFFAOYSA-N > C40H67NO11 > 737.972 > 737.471411981 > 12 > 119 > 84.50880684737518 > 0 > 7 > 0 > 0 > 2-{[2-({14-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 2.01 > 1.8691968283333318 > -3.67 > 1 > 7 > 1 > 12.719023367088745 > 12.10378667940207 > 10.201687734832394 > 181.77 > 192.4016 > 7 > 0 > 1.58e-01 g/l > 2-{[2-({14-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > NP0330179 > 2-{[2-({1-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-2-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol $$$$