Mrv1652305312218332D 38 41 0 0 1 0 999 V2000 5.4049 -2.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 -1.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5799 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8174 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 -0.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0549 -0.9035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6424 -0.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4674 -0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 -0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4674 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0549 -2.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5799 -0.9035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1306 -1.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -0.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 0.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0870 0.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 1.2091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6893 0.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 1.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 1.5062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 2.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 2.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9885 3.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 3.8850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5577 4.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 4.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 3.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 2.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 2.2711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0432 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 1.4641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6454 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8716 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9155 -0.1499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4675 -0.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 2 1 1 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 1 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 19 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 13 37 1 0 0 0 0 17 37 1 0 0 0 0 37 38 1 1 0 0 0 M END > NP0137785 > NP-MRD > [H][C@@](C)(CC[C@]([H])(CC)C(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C(=O)C=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C > InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24+,25+,27+,28+,29-/m1/s1 > ICFXJOAKQGDRCT-HPYBIPJLSA-N > C29H48O2 > 428.701 > 428.365430786 > 2 > 79 > 54.69029629207324 > 1 > 1 > 0 > 0 > (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-9-one > 7.280971395000001 > 1 > 4 > 0 > 18.2707459230914 > 17.38833010663574 > -1.3680983533849065 > 37.3 > 130.41009999999997 > 6 > 0 > (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-9-one > 1 > NP0137785 > 3beta-Hydroxyporiferast-5-en-7-one $$$$