Mrv1652304282220142D 30 34 0 0 1 0 999 V2000 5.3202 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7218 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 2.2311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0720 1.5104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4953 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.4978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8237 2.2060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2253 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 2.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 2.1934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5972 1.4728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0206 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 1.4602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3490 2.1683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7506 2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 2.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 1.9845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5290 1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 0.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 2.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9174 3.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 2.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8975 3.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9914 2.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.0684 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 1 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 7 14 1 1 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 21 1 0 0 0 0 19 22 1 1 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 15 25 1 6 0 0 0 11 26 1 6 0 0 0 8 27 1 1 0 0 0 5 28 1 1 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 M END > NP0072964 > NP-MRD > CC(=O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C > InChI=1S/C29H48O/c1-19(30)20-11-16-26(4)21(20)12-17-28(6)23(26)9-10-24-27(5)15-8-14-25(2,3)22(27)13-18-29(24,28)7/h20-24H,8-18H2,1-7H3/t20-,21-,22-,23+,24+,26-,27-,28+,29+/m0/s1 > DCBAVUVLEYSTPU-ZTPVQENVSA-N > C29H48O > 412.702 > 412.370516166 > 1 > 78 > 52.046571573594505 > 1 > 0 > 0 > 0 > 1-[(1R,2R,5S,6R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]ethan-1-one > 6.48 > 7.560266537333331 > -7.29 > 0 > 5 > 0 > 19.433259474835783 > -7.352397718231149 > 17.07 > 125.70809999999999 > 1 > 0 > 2.13e-05 g/l > 1-[(1R,2R,5S,6R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-6-yl]ethanone > 1 > NP0072964 > (+)-Isoadiantone $$$$