5351516 -OEChem-05032419132D 75 79 0 1 0 0 0 0 0999 V2000 5.8527 1.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8527 2.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1085 5.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 1.3955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0027 0.3540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1206 1.8955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1046 -0.1737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1206 2.8955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9866 3.3955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3304 -1.1843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2106 1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7757 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 3.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5866 1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5866 2.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 4.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2425 -0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 2.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6683 -1.9337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2026 4.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 4.9648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6882 -1.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9863 -2.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 -3.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 -4.5793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9801 -5.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 -4.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -6.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 0.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2835 2.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 1.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 1.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 0.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -0.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3146 -0.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1373 0.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 -1.8912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 -1.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 3.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 2.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 4.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 5.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9284 -0.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -0.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -1.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 3.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 2.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 2.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 -2.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 5.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 4.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5683 5.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 -1.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 -1.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -2.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 -3.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5728 6.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -3.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -4.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5696 -5.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -5.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2299 -4.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 -4.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 -6.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 -6.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8859 -6.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 -4.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3924 -5.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 -5.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 1 1 1 0 0 0 2 9 1 0 0 0 0 23 3 1 6 0 0 0 3 63 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 1 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 33 1 1 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 6 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 6 0 0 0 9 17 1 0 0 0 0 9 18 1 6 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 34 1 1 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 22 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 18 23 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 24 1 1 0 0 0 21 25 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 2 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 6 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 M END > 5351516 > 1 > 772 > 3 > 1 > 4 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAA0YIECAAAAAGCQAAAAGgAADAAAD1SggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAFAIAAQAAUAAFgAAIAAPA4PQPgAAAAAAAAADAAAYQADAAAQAACAAAAA== > (1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol > (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol > (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol > (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol > (1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol > (1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol > InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 > VXOZCESVZIRHCJ-KGHQQZOUSA-N > 6.7 > 428.32904526 > C28H44O3 > 428.6 > CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C > C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C > 38.7 > 428.32904526 > 0 > 31 > 10 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 4 1 5 10 34 5 21 24 5 27 29 6 23 3 6 5 32 5 6 33 5 7 19 6 8 20 6 9 18 6 $$$$