Mrv1652309092201212D 38 44 0 0 1 0 999 V2000 2.7253 0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4809 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 0.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 -0.9884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7360 -0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3559 0.1997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8301 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -0.2918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8642 -0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 -1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2211 -1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 -0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 0.9257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0087 0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0394 1.1309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2674 1.9376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8015 2.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 1.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0847 2.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 1.1612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9031 2.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.0131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9245 1.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6192 0.2977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5177 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3526 0.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1744 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3684 -0.4882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5794 -0.9733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1760 -1.6788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4241 -2.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 0.6233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0916 -0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 33 32 1 1 0 0 0 29 33 1 0 0 0 0 34 33 1 1 0 0 0 8 34 1 0 0 0 0 34 35 1 0 0 0 0 4 35 1 0 0 0 0 35 36 1 1 0 0 0 10 36 1 0 0 0 0 37 25 1 6 0 0 0 20 37 1 0 0 0 0 8 37 1 0 0 0 0 10 38 1 0 0 0 0 4 38 1 0 0 0 0 M END > NP0275565 > NP-MRD > C[C@H]1[C@H]2[C@@H]3[C@](O)([C@H](O)[C@@]4(CO)O[C@H]4[C@H]4[C@H]5OC6(CCCCCCC[C@@H]2C)O[C@]5(C[C@@H](C)[C@]34O6)C(C)=C)C1=O > 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 > C30H44O8 > 532.674 > 532.303618377 > 8 > 82 > 57.822730062333946 > 1 > 3 > 0 > 0 > (1R,2R,4R,5R,6S,7S,9R,10S,11S,13S,14R,15S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-(prop-1-en-2-yl)-8,24,26,27-tetraoxaheptacyclo[12.10.1.1^{4,23}.1^{5,23}.0^{1,6}.0^{7,9}.0^{11,25}]heptacosan-12-one > 3.9546782990000002 > 0 > 7 > 0 > 13.35128707140698 > 11.70727715447661 > -3.149697201624006 > 117.98000000000002 > 136.33879999999994 > 2 > 0 > (1R,2R,4R,5R,6S,7S,9R,10S,11S,13S,14R,15S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-(prop-1-en-2-yl)-8,24,26,27-tetraoxaheptacyclo[12.10.1.1^{4,23}.1^{5,23}.0^{1,6}.0^{7,9}.0^{11,25}]heptacosan-12-one > 0 > NP0275565 > wikstroelide e $$$$