441336 Marvin 12310709493D 65 69 0 0 1 0 999 V2000 -1.3322 -1.2909 1.3676 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 2.2420 -2.7979 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 0.9613 1.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -2.1102 -2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2539 0.2139 -0.7248 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1598 1.7378 2.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7106 -3.2430 1.5695 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 -0.3039 4.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 0.4934 -0.8937 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0329 1.0999 -0.3704 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3568 0.3991 -0.8229 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3970 -1.1358 -0.4184 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3618 1.4166 -0.1175 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1558 2.6293 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -1.0485 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 2.8433 -0.2623 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0519 -1.8182 -0.8992 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7812 -1.8084 -0.8694 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6208 1.1687 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 0.6147 -2.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9511 0.4618 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9079 -0.9661 -0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 1.3257 -0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 4.0020 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0209 -1.9484 -2.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 -3.2129 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8529 -1.4975 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 2.3939 -1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 -3.6513 0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 0.8999 2.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8301 -2.8093 0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 -0.1521 3.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9859 -1.2452 3.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 -2.0536 4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -1.4427 4.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0896 0.9373 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3869 0.4742 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 3.0087 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 3.1307 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4391 -1.2039 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 -1.5594 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 3.2506 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0314 -2.8130 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 2.1698 -0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 1.3081 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 1.6421 -2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 0.1357 -2.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 0.1534 -3.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1627 0.5825 -1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7492 1.0110 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 4.9484 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 3.8850 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1473 4.1158 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 -1.0084 -2.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 -2.3069 -2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 -2.6593 -2.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 -3.8702 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 -2.6182 -2.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5903 -0.9265 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 2.4056 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2302 3.3998 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 -4.6043 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -1.4345 2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 -2.9312 4.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 -1.7886 5.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 0 0 0 0 2 28 1 0 0 0 0 13 3 1 0 0 0 0 3 30 1 0 0 0 0 17 4 1 0 0 0 0 4 58 1 0 0 0 0 5 23 2 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 32 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 24 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 2 0 0 0 0 26 57 1 0 0 0 0 27 31 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > 12 1 6 10 36 6 11 37 5 16 24 6 18 25 5 13 3 6 32 33 8 33 34 8 34 35 8 17 4 5 8 32 8 8 35 8 9 20 5 > InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1 > WOFMFGQZHJDGCX-ZULDAHANSA-N > 1/0/N:24,25,20,34,33,21,19,29,26,35,14,27,15,28,16,22,31,11,10,32,17,23,30,18,9,12,13,2,1,7,4,5,6,8,3/it:im/rA:65cClClOOOOOOCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s10;s1s11;s3s9;s10;s9;s13s14;s4s12s15;s12;s11;s9;s19;s18s21;d5s13;s16;s18;s18;d22;s2s23;d26;s3d6;d7s27s29;s8s30;d32;s33;s8d34;s10;s11;s14;s14;s15;s15;s16;s17;s19;s19;s20;s20;s20;s21;s21;s24;s24;s24;s25;s25;s25;s26;s4;s27;s28;s28;s29;s33;s34;s35;/rC:-1.3322,-1.2909,1.3676;5.0926,2.242,-2.7979;2.5687,.9613,1.1607;-.0377,-2.1102,-2.293;4.2539,.2139,-.7248;1.1598,1.7378,2.6168;-5.7106,-3.243,1.5695;1.3326,-.3039,4.2474;1.3092,.4934,-.8937;-.0329,1.0999,-.3704;-1.3568,.3991,-.8229;-1.397,-1.1358,-.4184;2.3618,1.4166,-.1175;.1558,2.6293,-.4314;1.2727,-1.0485,-.5555;1.6872,2.8433,-.2623;-.0519,-1.8182,-.8992;-2.7812,-1.8084,-.8694;-2.6208,1.1687,-.3281;1.4587,.6147,-2.4609;-3.9511,.4618,-.673;-3.9079,-.9661,-.3395;3.7411,1.3257,-.6563;2.0695,4.002,.7072;-3.0209,-1.9484,-2.4175;-2.8675,-3.2129,-.3938;-4.8529,-1.4975,.4695;4.6335,2.3939,-1.1047;-3.8497,-3.6513,.4148;1.9757,.8999,2.2649;-4.8301,-2.8093,.8367;2.1185,-.1521,3.1491;2.9859,-1.2452,3.1086;2.6995,-2.0536,4.203;1.6625,-1.4427,4.8931;-.0896,.9373,.6993;-1.3869,.4742,-1.9116;-.2121,3.0087,-1.3899;-.4236,3.1307,.3504;1.4391,-1.2039,.5085;2.1196,-1.5594,-1.0232;1.9819,3.2506,-1.2345;.0314,-2.813,-.4501;-2.6484,2.1698,-.7679;-2.5717,1.3081,.7559;1.4929,1.6421,-2.8188;2.3761,.1357,-2.8093;.6459,.1534,-3.0171;-4.1627,.5825,-1.7371;-4.7492,1.011,-.1622;1.672,4.9484,.3334;1.6685,3.885,1.7084;3.1473,4.1158,.8148;-2.8994,-1.0084,-2.9552;-4.0314,-2.3069,-2.6396;-2.3501,-2.6593,-2.9019;-2.1751,-3.8702,-.6739;.7865,-2.6182,-2.4516;-5.5903,-.9265,.8205;5.5382,2.4056,-.494;4.2302,3.3998,-1.04;-3.8497,-4.6043,.7019;3.7014,-1.4345,2.4047;3.1561,-2.9312,4.4572;1.2153,-1.7886,5.7442; > C27 H30 Cl2 O6 > 521.4295 > Cl[C@@]12[C@]3(C([H])=C([H])C(C([H])=C3C([H])([H])C([H])([H])[C@@]1([H])[C@]1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@](C(C([H])([H])Cl)=O)([C@@]1(C([H])([H])[H])C([H])([H])[C@]2([H])O[H])OC(C1=C([H])C([H])=C([H])O1)=O)=O)C([H])([H])[H] > 390091 $$$$