Mrv1652309052205572D 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 2.2573 -0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 -0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8553 -1.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5519 0.1710 0.0000 C 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 6.6371 -2.5511 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 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 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 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 4 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 4 1 1 0 0 0 28 29 1 0 0 0 0 2 29 1 0 0 0 0 29 30 1 1 0 0 0 21 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 20 34 1 0 0 0 0 34 35 1 1 0 0 0 M END > NP0207379 > NP-MRD > C[C@H]1C[C@@]2(OC(=O)\C=C\C3=CC=CC=C3)[C@H]([C@H]1O)[C@@H](O)[C@]1(C)CC[C@H]3[C@@H]([C@@H](O)C3(C)C)[C@]1(C)C2=O > InChI=1S/C29H38O6/c1-16-15-29(35-19(30)12-11-17-9-7-6-8-10-17)21(22(16)31)24(33)27(4)14-13-18-20(23(32)26(18,2)3)28(27,5)25(29)34/h6-12,16,18,20-24,31-33H,13-15H2,1-5H3/b12-11+/t16-,18-,20-,21+,22-,23+,24+,27-,28+,29+/m0/s1 > GYAAJCZJHMMJNM-AWZHKKSRSA-N > C29H38O6 > 482.617 > 482.266838944 > 5 > 73 > 53.38468518762346 > 1 > 3 > 0 > 0 > (1R,2R,3R,4S,5S,7R,9S,10R,11R,13S)-2,4,11-trihydroxy-1,5,9,12,12-pentamethyl-8-oxotetracyclo[7.6.0.0^{3,7}.0^{10,13}]pentadecan-7-yl (2E)-3-phenylprop-2-enoate > 4.213632770333332 > 0 > 5 > 0 > 14.487285833834324 > 13.950589177637763 > -2.9902780989042057 > 104.06000000000002 > 131.66720000000004 > 4 > 1 > (1R,2R,3R,4S,5S,7R,9S,10R,11R,13S)-2,4,11-trihydroxy-1,5,9,12,12-pentamethyl-8-oxotetracyclo[7.6.0.0^{3,7}.0^{10,13}]pentadecan-7-yl (2E)-3-phenylprop-2-enoate > 0 > NP0207379 > (1r,2r,3r,4s,5s,7r,9s,10r,11r,13s)-2,4,11-trihydroxy-1,5,9,12,12-pentamethyl-8-oxotetracyclo[7.6.0.0³,⁷.0¹⁰,¹³]pentadecan-7-yl (2e)-3-phenylprop-2-enoate $$$$