Mrv1652307012117483D 80 84 0 0 0 0 999 V2000 6.9549 -0.1512 1.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 0.6393 1.6179 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9672 2.1052 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 0.4487 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 -0.1095 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8096 -0.6838 1.7191 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3505 -0.3890 1.7267 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6643 -0.5059 0.4078 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4309 -1.9816 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4452 0.1317 -0.7080 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8108 -0.0855 -2.0579 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6478 0.2906 -2.0615 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3861 -0.1964 -0.8530 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8440 0.0906 -0.9700 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1655 1.4603 -1.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3839 -0.8569 -2.0592 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6641 -1.4875 -1.7071 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6300 -0.6843 -0.9212 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0067 -0.1013 0.3349 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4439 1.2884 0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4941 -0.9653 1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -0.3145 0.2872 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9153 0.2356 1.5417 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4437 -0.1366 1.6606 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7015 0.2108 0.3974 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5047 1.7178 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9008 -0.1551 -0.7525 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2828 -1.4235 -1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 0.9834 -1.5054 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 0.8638 -0.9282 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5523 -0.0236 2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6885 -1.2036 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 0.3099 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 0.2552 2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 2.7377 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 2.3398 2.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8593 2.3429 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3151 -0.4550 2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 -1.8006 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 0.5862 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8936 -1.1288 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 -2.2765 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 -2.3641 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 -2.5731 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 1.2470 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 0.6144 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -1.0798 -2.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 1.3463 -2.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0985 -0.2549 -2.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 -1.3264 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2522 1.5558 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7403 1.5312 -2.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 2.2928 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 -0.3396 -3.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 -1.6900 -2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -1.7946 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -2.4614 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4782 -1.3830 -0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1586 0.1115 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1778 1.5818 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 2.0427 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 1.3831 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5418 -1.2467 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 -1.8471 1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4703 -0.3606 2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 -1.4385 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 1.2973 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 -0.2997 2.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 0.5425 2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 -1.1444 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 2.0143 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 2.1920 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 2.2176 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -2.2849 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4121 -1.4170 -1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 -1.5291 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 0.8248 -2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 1.9606 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6384 0.2041 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 1.9115 -0.8646 H 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 10 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 4 1 0 0 0 0 27 5 1 0 0 0 0 25 8 1 0 0 0 0 25 13 1 0 0 0 0 22 14 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 1 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 1 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 6 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 66 1 1 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 M END > NP0003797 > NP-MRD > [H]C([H])([H])C([H])(C1=C2C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]4([H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]5([H])C([H])([H])C([H])([H])[C@@]34C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H] > InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20,23-25H,9-19H2,1-8H3/t23-,24+,25+,27-,28-,29+,30+/m0/s1 > BJFPMDGPOFJGIR-WWJAXWOYSA-N > C30H50 > 410.73 > 410.39125161 > 0 > 80 > 53.24147164670674 > 1 > 0 > 0 > 0 > (1R,2R,9R,10S,13R,14S,19S)-1,2,9,14,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicos-5-ene > 7.86 > 8.577266052999999 > -6.87 > 0 > 5 > 0 > 0.0 > 130.19869999999997 > 1 > 0 > 5.52e-05 g/l > (1R,2R,9R,10S,13R,14S,19S)-6-isopropyl-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicos-5-ene > 1 > NP0003797 > Hop-17(21)-ene $$$$