Mrv1652309062209202D 41 42 0 0 1 0 999 V2000 -5.0013 -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 -4.2868 -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 -5.7158 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -2.0625 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 -4.1027 -12.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -12.1555 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 -2.8579 -14.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -14.4375 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 3 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 26 33 1 0 0 0 0 33 34 1 0 0 0 0 3 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 2 41 1 0 0 0 0 M END > NP0227874 > NP-MRD > C\C(\C=C\C=C(/C)\C=C\C1=CC=C(C)C(C)=C1C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)C[C@@H](O)CC1(C)C > InChI=1S/C40H50O/c1-29(17-13-19-31(3)21-24-37-25-23-33(5)35(7)36(37)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-34(6)27-38(41)28-40(39,9)10/h11-21,23-25,38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-21+,29-15+,30-16+,31-19+,32-20+/t38-/m1/s1 > SIBBLZCWSMCOKD-YMGIVJASSA-N > C40H50O > 546.839 > 546.38616623 > 1 > 91 > 72.05225444483821 > 0 > 1 > 0 > 0 > (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,4-trimethylphenyl)octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol > 10.414343174666666 > 0 > 2 > 0 > 18.722741218451727 > -1.1704729910492144 > 20.23 > 191.43860000000006 > 10 > 0 > (1R)-3,5,5-trimethyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,4-trimethylphenyl)octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol > 1 > NP0227874 > (1r)-3,5,5-trimethyl-4-[(3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,3,4-trimethylphenyl)octadeca-3,5,7,9,11,13,15,17-octaen-1-yn-1-yl]cyclohex-3-en-1-ol $$$$