Mrv1652309082205292D 41 42 0 0 1 0 999 V2000 -8.5737 -9.0750 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 -7.8592 -7.8375 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 -8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.1460 3.7125 0.0000 O 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 -9.5654 3.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1781 3.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6750 -6.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6144 -6.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -9.0750 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 2 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 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 3 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 2 41 1 0 0 0 0 M END > NP0261124 > NP-MRD > C\C(\C=C/C=C(/C)\C=C/C1=C(C)CCCC1(C)C)=C\C=C/C=C(/C)\C=C/C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C > InChI=1S/C40H56O/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/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11-,18-13-,19-14-,25-23-,26-24+,30-16-,31-17-,32-20-,33-21-/t36-/m1/s1 > DMASLKHVQRHNES-LSRKOTMJSA-N > C40H56O > 552.887 > 552.433116423 > 1 > 97 > 70.20566686926463 > 0 > 1 > 0 > 0 > (1R)-3,5,5-trimethyl-4-[(1E,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol > 9.737362572999999 > 0 > 2 > 0 > 18.907213404525137 > -1.089784856860705 > 20.23 > 193.28130000000007 > 10 > 0 > (1R)-3,5,5-trimethyl-4-[(1E,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol > 1 > NP0261124 > (1r)-3,5,5-trimethyl-4-[(1e,3z,5z,7z,9z,11z,13z,15z,17z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol $$$$