Mrv1652309092209482D 35 39 0 0 1 0 999 V2000 0.6069 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3975 -1.7350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0529 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -1.7023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8837 -0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 -2.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3370 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -1.9192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4708 -2.5186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2352 -3.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4326 -3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -2.9011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6301 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 -3.0923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8276 -3.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 -2.4929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6716 -2.5131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2032 -3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -2.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5033 -1.3523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5263 -0.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 0.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9547 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6804 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3831 -0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1088 -0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7885 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0628 -1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3601 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 4 1 1 0 0 0 18 19 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 1 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 30 35 1 0 0 0 0 M END > NP0281459 > NP-MRD > C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)[C@]1(C)CC[C@H]3[C@@H]([C@@H](OC(=O)\C=C\C4=CC=CC=C4)C3(C)C)[C@]1(C)C2=O > InChI=1S/C29H38O6/c1-16-15-29(34)21(22(16)31)23(32)27(4)14-13-18-20(28(27,5)25(29)33)24(26(18,2)3)35-19(30)12-11-17-9-7-6-8-10-17/h6-12,16,18,20-24,31-32,34H,13-15H2,1-5H3/b12-11+/t16-,18-,20-,21+,22-,23+,24+,27-,28+,29+/m0/s1 > AJMBKJHYKRJOBP-AWZHKKSRSA-N > C29H38O6 > 482.617 > 482.266838944 > 5 > 73 > 53.50974255811594 > 1 > 3 > 0 > 0 > (1R,2R,3R,4S,5S,7R,9S,10R,11R,13S)-2,4,7-trihydroxy-1,5,9,12,12-pentamethyl-8-oxotetracyclo[7.6.0.0^{3,7}.0^{10,13}]pentadecan-11-yl (2E)-3-phenylprop-2-enoate > 4.213632770333332 > 0 > 5 > 0 > 14.18793717365702 > 12.64271262338768 > -3.0137787706760815 > 104.06 > 131.66719999999998 > 4 > 1 > (1R,2R,3R,4S,5S,7R,9S,10R,11R,13S)-2,4,7-trihydroxy-1,5,9,12,12-pentamethyl-8-oxotetracyclo[7.6.0.0^{3,7}.0^{10,13}]pentadecan-11-yl (2E)-3-phenylprop-2-enoate > 0 > NP0281459 > (1r,2r,3r,4s,5s,7r,9s,10r,11r,13s)-2,4,7-trihydroxy-1,5,9,12,12-pentamethyl-8-oxotetracyclo[7.6.0.0³,⁷.0¹⁰,¹³]pentadecan-11-yl (2e)-3-phenylprop-2-enoate $$$$