Mrv1652306212101123D 81 84 0 0 0 0 999 V2000 2.8097 -0.9545 4.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 -0.4206 4.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 -1.0523 4.8463 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2658 -0.4002 6.2234 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8798 -1.0188 6.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8139 -1.8976 7.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 -2.3916 8.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 -2.4779 8.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 0.8171 3.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3040 1.9020 3.0197 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0645 2.4434 1.5989 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5797 1.2118 0.8051 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8203 0.2799 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 0.6149 1.8401 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0343 -0.7289 1.3810 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6725 -0.5747 0.0189 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1971 0.1142 -1.0669 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8133 1.4870 -0.5798 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3145 2.5471 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 2.0494 -1.6665 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6054 1.4941 -3.0932 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1211 1.2691 -3.3927 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3430 1.3240 -4.8874 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2793 0.2474 -5.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 2.6880 -5.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 1.2806 -4.8925 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3915 1.1307 -6.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 0.1939 -4.0098 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9712 0.1600 -2.5793 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4266 0.0747 -2.5351 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0153 -1.3234 -3.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 -1.8317 4.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 -0.5507 3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 -2.1274 4.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -0.9811 4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 -0.4534 6.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 0.6700 6.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -0.6818 6.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -1.9441 8.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0497 -2.1461 9.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -3.4780 8.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -2.1287 9.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3441 -2.2188 7.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -3.5715 8.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 1.3293 3.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 1.5159 3.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 2.7072 3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 3.2262 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 2.8944 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 0.8149 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 -0.6029 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 -0.1088 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 1.2681 1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -1.1129 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 -1.4786 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 -1.5737 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 -0.0066 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0666 -0.5452 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 2.7803 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 2.2380 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 3.5037 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.8951 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 3.1421 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 0.5626 -3.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 2.2053 -3.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 2.1694 -3.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2336 -0.7123 -5.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 0.5383 -6.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 0.0931 -5.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 3.5282 -4.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 2.8348 -6.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 2.7551 -5.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 2.2478 -4.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 1.1529 -6.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6126 0.3573 -3.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4265 -0.7836 -4.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 1.0592 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4233 -0.6934 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 -1.3710 -3.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2215 -2.1150 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -1.6231 -3.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 30 29 1 0 0 0 0 29 28 1 0 0 0 0 9 10 1 0 0 0 0 18 12 1 0 0 0 0 14 15 1 0 0 0 0 14 12 1 0 0 0 0 9 2 1 0 0 0 0 18 20 1 0 0 0 0 2 1 2 3 0 0 0 17 30 1 0 0 0 0 22 66 1 1 0 0 0 22 21 1 0 0 0 0 12 13 1 6 0 0 0 21 20 1 0 0 0 0 23 24 1 6 0 0 0 12 11 1 0 0 0 0 17 58 1 6 0 0 0 23 26 1 0 0 0 0 11 10 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 28 26 1 0 0 0 0 9 14 1 0 0 0 0 26 27 1 0 0 0 0 30 31 1 6 0 0 0 23 25 1 0 0 0 0 22 30 1 0 0 0 0 18 19 1 1 0 0 0 4 5 1 0 0 0 0 16 17 1 0 0 0 0 6 7 1 0 0 0 0 14 53 1 1 0 0 0 6 8 1 0 0 0 0 6 5 2 3 0 0 0 18 17 1 0 0 0 0 16 15 1 0 0 0 0 22 23 1 0 0 0 0 9 45 1 1 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 26 73 1 1 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 27 74 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 5 38 1 0 0 0 0 M END > NP0041247 > NP-MRD > [H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]2([H])[C@@]([H])(C(=C([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]32C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3/t22-,23+,24+,25+,26+,28+,29+,30+/m1/s1 > WZAMDSBJONFHAO-XLELZOGFSA-N > C30H50O > 426.729 > 426.38616623 > 1 > 81 > 54.734923309333176 > 1 > 1 > 0 > 0 > (1S,2R,5S,7R,10S,11S,14S,15S)-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,5-dien-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol > 7.51 > 7.808264016000002 > -6.51 > 0 > 4 > 0 > 19.489433390177716 > -0.8351218351362667 > 20.23 > 133.73879999999997 > 4 > 0 > 1.32e-04 g/l > (1S,2R,5S,7R,10S,11S,14S,15S)-2,6,6,10,11-pentamethyl-14-(6-methylhepta-1,5-dien-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol > 1 > NP0041247 > protosta-20,24-dien-3beta-ol $$$$