Mrv1652304282211522D 41 42 0 0 1 0 999 V2000 7.8592 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -13.6125 0.0000 C 0 0 1 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 6.4302 -13.6125 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 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 -11.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5320 -11.6466 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 5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -12.3750 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 2.8579 -12.3750 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 1.4289 -12.3750 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 -12.3750 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 -1.4289 -12.3750 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 -12.3750 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 -12.3750 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 -12.7875 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 -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 -8.5737 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -11.5500 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 -9.2881 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -11.5500 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 8.5737 -14.0250 0.0000 O 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 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 2 0 0 0 0 18 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 23 24 2 0 0 0 0 24 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 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 29 34 1 0 0 0 0 28 35 1 0 0 0 0 24 36 1 0 0 0 0 20 37 1 0 0 0 0 15 38 1 0 0 0 0 11 39 1 0 0 0 0 4 40 1 0 0 0 0 2 41 1 6 0 0 0 M END > NP0065670 > NP-MRD > C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(C)=CC=C1C)=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/C40H52O/c1-29(17-13-19-31(3)21-25-38-34(6)24-23-33(5)36(38)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-35(7)27-37(41)28-40(39,9)10/h11-26,37,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-/m1/s1 > QKSYRDNACIUQLX-JWHGNKDISA-N > C40H52O > 548.855 > 548.401816294 > 1 > 93 > 71.94401459111495 > 0 > 1 > 0 > 0 > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol > 9.01 > 10.467714853333332 > -6.42 > 0 > 2 > 0 > 18.907213404525137 > -1.089784856860705 > 20.23 > 193.19380000000012 > 10 > 0 > 2.10e-04 g/l > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol > 1 > NP0065670 > (3R)-beta,phi-Caroten-3-ol $$$$