38 42 0 0001 0 0 0 0 0999 V2000 7.2011 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.3177 -0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.4572 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.3177 -1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.6053 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.1294 -3.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1495 -3.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1495 -5.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0101 -5.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8935 -5.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8821 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8935 -3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7655 -3.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6374 -3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6488 -5.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5208 -5.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5208 -4.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2761 -5.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2761 -7.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.4042 -7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.5610 -8.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2359 -8.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5208 -7.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6488 -7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7655 -7.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7655 -5.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7655 -4.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3928 -6.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.8432 -8.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 4.6488 -6.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8.0215 -3.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9732 -2.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8.0329 -4.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 10.3345 -4.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.3942 -3.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.7219 -2.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 4 33 1 0 4 38 1 1 5 6 1 0 6 7 1 0 7 8 1 0 7 33 1 0 7 36 1 1 8 9 1 0 9 10 1 0 10 11 1 6 10 12 1 0 10 27 1 0 12 13 1 0 12 33 1 0 12 35 1 1 13 14 1 0 14 15 1 0 15 16 1 0 15 27 1 0 15 32 1 6 16 17 1 1 16 18 1 0 16 24 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 30 1 0 20 31 1 6 21 22 1 0 21 23 1 0 21 24 1 0 24 25 1 0 24 29 1 6 25 26 1 0 26 27 1 0 27 28 1 1 33 34 1 6 36 37 1 0 M END > InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 > FVWJYYTZTCVBKE-ROUWMTJPSA-N > 1/0/N:1,3,22,23,17,11,28,13,14,5,25,19,18,26,6,9,8,36,2,4,12,24,15,20,33,21,16,10,27,7,37,30/E:(3,4)/it:im/rA:38cCCCCCCCCCCCCCCCCCCCCCCCCCCCCHOHHCHHCOH/rB:d1;s2;s2;s4;s5;s6;s7;s8;s9;N10;s10;s12;s13;s14;s15;P16;s16;s18;s19;s20;s21;s21;s16s21;s24;s25;s10s15s26;P27;N24;s20;N20;N15;s4s7s12;N33;P12;P7;s36;P4;/rC:7.2011,0,0;8.3177,-.6609,0;9.4572,-.0114,0;8.3177,-1.9598,0;9.6053,-1.8345,0;10.1294,-3.0308,0;9.1495,-3.8968,0;9.1495,-5.2071,0;8.0101,-5.8452,0;6.8935,-5.1843,0;6.8821,-6.4833,0;6.8935,-3.8854,0;5.7655,-3.2246,0;4.6374,-3.8854,0;4.6488,-5.1843,0;3.5208,-5.8338,0;3.5208,-4.5349,0;2.4042,-5.1843,0;1.2761,-5.8338,0;1.2761,-7.1328,0;2.4042,-7.7708,0;1.561,-8.7735,0;3.2359,-8.7735,0;3.5208,-7.1328,0;4.6488,-7.7708,0;5.7655,-7.1214,0;5.7655,-5.8338,0;5.7655,-4.5349,0;2.3928,-6.4719,0;0,-6.9049,0;.8432,-8.3633,0;4.6488,-6.4833,0;8.0215,-3.2246,0;6.9732,-2.4611,0;8.0329,-4.5235,0;10.3345,-4.4209,0;11.3942,-3.6689,0;10.7219,-2.7802,0; > C30 H50 O2 > 442.7168 > C=C([C@@]1([H])[C@]2([H])[C@@]3([H])CC[C@@]4([H])[C@@](C)(CC[C@@]5([H])C(C)(C)[C@@]([H])(O)CC[C@]45C)[C@]3(C)CC[C@@]2(CO)CC1)C > 65272 $$$$