Mrv1652309072201292D 41 42 0 0 1 0 999 V2000 -3.5724 -14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5316 -12.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -12.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -13.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4315 -10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3899 -13.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6153 -13.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 3 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 32 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > NP0239821 > NP-MRD > C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)C[C@@H](O)CC1(C)C > InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-23,25,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1 > UNFSUWGHNYXWHO-SEHWBYMQSA-N > C40H54O > 550.871 > 550.417466359 > 1 > 95 > 72.03677801643613 > 0 > 1 > 0 > 0 > (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol > 9.727648719000001 > 0 > 2 > 0 > 18.722741218451727 > -1.1704729910492144 > 20.23 > 191.79270000000005 > 10 > 0 > (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol > 1 > NP0239821 > (1r)-3,5,5-trimethyl-4-[(3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol $$$$