Mrv1652306242117193D 50 54 0 0 0 0 999 V2000 -3.1135 0.6944 -2.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.4596 -1.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 -0.2618 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -0.3349 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8426 -0.7016 -1.8419 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5684 -0.1286 0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0397 -0.2075 0.8005 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6872 1.2849 0.0826 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8814 0.1518 1.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5087 0.2192 1.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8379 0.4957 3.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 0.5679 3.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 0.3419 1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 0.0544 0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 0.0011 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6365 -0.2736 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0943 -0.5631 -1.5274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -0.2856 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 -0.6060 -1.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 -0.8951 -2.6747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.6216 -1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5935 -0.3356 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -0.0205 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 0.2548 2.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4646 0.0047 0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 0.3261 2.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 0.6011 3.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0217 -0.3872 -0.5344 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6795 -1.4163 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 0.7882 -0.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 1.5847 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 -0.9452 -1.8646 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -1.0045 -2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 -1.3328 -3.6247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 0.4574 -3.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 1.5278 -2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 0.9171 -2.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4002 -0.2868 1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3461 -1.0833 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4055 0.3240 2.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 0.6681 3.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9454 0.7965 4.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 -1.1306 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 0.4882 2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1345 -0.9223 1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -2.0502 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8719 -2.0725 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 2.4580 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2273 1.1740 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8152 2.1450 0.7073 H 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 6 0 0 0 30 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 15 3 1 0 0 0 0 25 18 1 0 0 0 0 15 10 1 0 0 0 0 33 21 1 0 0 0 0 26 13 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 9 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 20 43 1 0 0 0 0 24 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M END > NP0015425 > NP-MRD > [H]OC1=C2C(=O)C3=C4C(=C([H])C([H])=C3C(=O)C2=C(O[H])C2=C1C(=O)O[C@]2(OC([H])([H])[H])C([H])([H])[H])C([H])=C(C(Cl)=C4OC([H])([H])[H])C([H])([H])Cl > InChI=1S/C24H16Cl2O8/c1-24(33-3)16-15(23(31)34-24)20(29)14-13(21(16)30)18(27)10-5-4-8-6-9(7-25)17(26)22(32-2)11(8)12(10)19(14)28/h4-6,29-30H,7H2,1-3H3/t24-/m1/s1 > HHNCNWIXXAQVNZ-UHFFFAOYSA-N > C24H16Cl2O8 > 503.28 > 502.0222229 > 7 > 50 > 48.57608709480889 > 0 > 2 > 0 > 0 > (6R)-16-chloro-17-(chloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione > 4.29 > 6.366337240333332 > -4.83 > 0 > 5 > 0 > 10.018796343906326 > 7.343540104784807 > -3.9296355012990327 > 119.36000000000001 > 124.08069999999996 > 3 > 0 > 7.41e-03 g/l > (6R)-16-chloro-17-(chloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione > 0 > NP0015425 > Allocyclinone C $$$$