Mrv1652304282219512D 27 31 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 0 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 1.1193 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 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 16 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 6 0 0 0 11 23 1 6 0 0 0 8 24 1 1 0 0 0 5 25 1 1 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 M END > NP0072518 > NP-MRD > C[C@]12CCC[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/C27H46/c1-23(2)14-8-16-25(4)20(23)13-18-27(6)22(25)11-10-21-24(3)15-7-9-19(24)12-17-26(21,27)5/h19-22H,7-18H2,1-6H3/t19-,20+,21-,22-,24+,25+,26-,27-/m1/s1 > WPKYQECPNNWDJY-TXOBOIHYSA-N > C27H46 > 370.665 > 370.359951481 > 0 > 73 > 47.91047579325114 > 1 > 0 > 0 > 0 > (1R,2R,5R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane > 7.03 > 8.007896501333335 > -7.40 > 0 > 5 > 0 > 0.0 > 115.91709999999999 > 0 > 0 > 1.49e-05 g/l > (1R,2R,5R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane > 1 > NP0072518 > Trisnorhopane $$$$