Mrv1533004181503112D 37 42 0 0 0 0 999 V2000 9.8720 -0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4595 -0.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6345 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 0.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5575 -1.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3645 -1.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9445 -2.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6589 -2.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7729 -3.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2579 -3.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0783 -3.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5633 -4.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9223 -4.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1018 -4.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7663 -5.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2512 -5.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6169 -3.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9524 -3.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6169 -2.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 -1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4015 -0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0660 -0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2455 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9099 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3948 1.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2153 1.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5509 0.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5155 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5155 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 -0.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 -1.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -1.7817 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 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 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 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 15 18 1 0 0 0 0 18 19 2 0 0 0 0 10 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 21 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 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 32 36 1 0 0 0 0 36 37 2 0 0 0 0 29 37 1 0 0 0 0 M END > NP0171225 > NP-MRD > COC(=O)C1C(O)C2(O)C3=C(OC)C=C(OC)C=C3OC2(C1C1=CC=CC=C1)C1=CC=C2OCOC2=C1 > InChI=1S/C28H26O9/c1-32-17-12-20(33-2)24-21(13-17)37-28(16-9-10-18-19(11-16)36-14-35-18)23(15-7-5-4-6-8-15)22(26(30)34-3)25(29)27(24,28)31/h4-13,22-23,25,29,31H,14H2,1-3H3 > SAGBWAVFZFVBBQ-UHFFFAOYSA-N > C28H26O9 > 506.507 > 506.157682417 > 8 > 63 > 51.57600263012367 > 1 > 2 > 0 > 0 > methyl 6-(2H-1,3-benzodioxol-5-yl)-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate > 3.29 > 2.6749208136666667 > -4.30 > 1 > 6 > 0 > 14.033227973952417 > 11.612205060176212 > -3.5729997134026226 > 112.91000000000003 > 128.7187 > 6 > 0 > 2.55e-02 g/l > methyl 6-(2H-1,3-benzodioxol-5-yl)-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate > 0 > NP0171225 > methyl 6-(2h-1,3-benzodioxol-5-yl)-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxylate $$$$