CDK 1018121545 42 48 0 0 0 0 0 0 0 0999 V2000 -2.5450 -12.1940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9983 -10.4106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2751 -10.8217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2854 -9.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0055 -9.5859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5691 -9.5767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5693 -10.4078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0004 -11.5136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7866 -10.7366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4628 -10.2963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0923 -10.7963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8071 -11.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2577 -12.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2674 -12.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 -10.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -9.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 -10.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -9.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 -11.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -11.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 -8.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -11.6405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7549 -12.2634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9204 -12.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 -11.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9701 -13.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3941 -13.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 -12.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -9.6318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7566 -8.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0314 -9.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 -7.9262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1414 -9.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 -8.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8595 -9.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -7.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 -7.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7893 -6.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -6.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7565 -7.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 -7.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9187 -9.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 19 1 1 0 0 0 9 20 1 6 0 0 0 6 21 1 6 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 22 24 1 0 0 0 0 2 9 1 0 0 0 0 23 1 1 0 0 0 0 1 8 1 0 0 0 0 3 22 1 0 0 0 0 22 25 1 1 0 0 0 2 3 1 0 0 0 0 23 26 1 1 0 0 0 2 5 1 0 0 0 0 26 27 1 0 0 0 0 3 7 1 0 0 0 0 1 28 1 1 0 0 0 6 4 1 0 0 0 0 10 29 1 0 0 0 0 4 5 1 0 0 0 0 29 30 1 0 0 0 0 7 6 1 0 0 0 0 29 31 1 1 0 0 0 8 9 1 0 0 0 0 21 32 1 0 0 0 0 16 32 1 0 0 0 0 15 32 1 0 0 0 0 9 10 1 0 0 0 0 6 33 1 0 0 0 0 10 11 1 0 0 0 0 33 34 2 0 0 0 0 11 12 1 0 0 0 0 33 35 1 0 0 0 0 12 8 1 0 0 0 0 32 36 1 1 0 0 0 12 13 2 0 0 0 0 36 37 1 0 0 0 0 8 14 1 1 0 0 0 37 38 1 0 0 0 0 7 15 1 6 0 0 0 38 39 1 0 0 0 0 2 16 1 6 0 0 0 30 40 1 0 0 0 0 11 17 1 1 0 0 0 40 41 1 0 0 0 0 41 39 1 0 0 0 0 5 18 1 6 0 0 0 10 42 1 1 0 0 0 M END > CHEBI:70542 > wikstroelide E > A natural product found particularly in Wikstroemia retusa and Pimelea simplex. > 2 > pimelea factor S7 > C30H44O8 > 532.66560 > 532.30362 > 0 > [H][C@]12[C@@H](C)CCCCCCC[C@@]34O[C@@H]5[C@]6([H])[C@]7([H])O[C@]7(CO)[C@@H](O)[C@](O)(C(=O)[C@H]1C)[C@]2([H])[C@@]6(O3)[C@H](C)C[C@@]5(O4)C(C)=C > InChI=1S/C30H44O8/c1-15(2)26-13-17(4)30-20-23(26)36-28(37-26,38-30)12-10-8-6-7-9-11-16(3)19-18(5)22(32)29(34,21(19)30)25(33)27(14-31)24(20)35-27/h16-21,23-25,31,33-34H,1,6-14H2,2-5H3/t16-,17+,18-,19-,20+,21+,23+,24-,25+,26+,27-,28?,29+,30+/m0/s1 > YTMZOVBDBJZQRD-FHUSGCSVSA-N > 21049973 $$$$