Mrv1652309092222442D 51 54 0 0 1 0 999 V2000 4.8045 -0.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 -0.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7396 0.1410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3634 -0.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 -0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2985 0.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5461 -0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9494 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5733 -1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4176 -2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6382 -2.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0143 -1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 1.4910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4270 2.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 3.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8303 2.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4919 1.2207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7373 2.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 1.8991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4116 2.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 3.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 3.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 4.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 2.0040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9587 2.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1696 3.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5666 2.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 3.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 1.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 0.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4927 0.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 -0.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8067 -1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -0.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 -0.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 0.0529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6109 -0.0645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7929 -0.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -2.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 -1.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 0.4105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6447 0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 1.2763 0.0000 C 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 3 4 1 6 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 9 14 1 0 0 0 0 3 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 23 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 28 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 6 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 36 41 1 0 0 0 0 42 41 1 6 0 0 0 42 43 1 0 0 0 0 43 44 1 6 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 43 48 1 0 0 0 0 48 2 1 1 0 0 0 21 48 1 0 0 0 0 42 49 1 0 0 0 0 33 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M END > NP0290177 > NP-MRD > CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@@H]3C(=C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(=O)\C=C\C1=CC=CC=C1 > InChI=1S/C39H48O12/c1-20-29(46-22(3)40)18-28-35(48-24(5)42)34-21(2)30(51-32(45)17-16-27-14-12-11-13-15-27)19-31(47-23(4)41)39(34,10)37(50-26(7)44)36(49-25(6)43)33(20)38(28,8)9/h11-17,28-31,34-37H,2,18-19H2,1,3-10H3/b17-16+/t28-,29-,30-,31-,34-,35+,36+,37-,39+/m0/s1 > LNTSYHPESCVWKP-LKXFKGTJSA-N > C39H48O12 > 708.801 > 708.314576986 > 6 > 99 > 74.17195787908008 > 0 > 0 > 0 > 0 > (1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10,13-pentakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate > 3.868820588666667 > 1 > 4 > 0 > -6.195825070263116 > 157.8 > 182.22450000000006 > 14 > 0 > (1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10,13-pentakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0^{3,8}]pentadec-11-en-5-yl (2E)-3-phenylprop-2-enoate > 0 > NP0290177 > (1r,2r,3r,5s,7s,8s,9r,10r,13s)-2,7,9,10,13-pentakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate $$$$