Mrv1652309122217142D 28 31 0 0 1 0 999 V2000 3.1344 -0.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 0.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 0.8256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5320 1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 2.3019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8507 2.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4869 2.5789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3992 3.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 1.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 2.1439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0367 2.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 1.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8796 1.1638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5341 0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 1.3247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2688 0.7380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9918 -0.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 -0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 -1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 -2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 -3.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -3.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9965 -2.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 4 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 1 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 4 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 M END > NP0330158 > NP-MRD > CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)\C=C\C1=CC=CC=C1 > InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23+,24-/m0/s1 > VWHNJBKOOIZSEF-AOIXHVRESA-N > C24H32O4 > 384.516 > 384.23005951 > 3 > 60 > 43.34277280721068 > 1 > 1 > 0 > 1 > (1R,2S,5S,6S,7R,8S,10S)-10-hydroxy-1,5-dimethyl-8-(propan-2-yl)-11-oxatricyclo[6.2.1.0^{2,6}]undecan-7-yl (2E)-3-phenylprop-2-enoate > 4.757992740666666 > 0 > 4 > 0 > 13.893434825915843 > -3.282811607144409 > 55.76 > 108.8456 > 5 > 1 > (1R,2S,5S,6S,7R,8S,10S)-10-hydroxy-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0^{2,6}]undecan-7-yl (2E)-3-phenylprop-2-enoate > 0 > NP0330158 > (1r,2s,5s,6s,7r,8s,10s)-10-hydroxy-8-isopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.0²,⁶]undecan-7-yl (2e)-3-phenylprop-2-enoate $$$$