Mrv1652304282211522D 41 42 0 0 1 0 999 V2000 7.8592 -12.7875 0.0000 C 0 0 2 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 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 -6.7075 -10.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3202 -11.5212 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 -12.3750 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 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 32 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 1 41 1 6 0 0 0 M END > NP0065667 > 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)CC[C@@H](O)C1(C)C > InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-26-36-34(5)22-15-29-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-37-35(6)25-28-38(41)40(37,9)10/h11-14,16-21,23-24,26-27,38,41H,15,22,25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-23+,27-24+,30-16+,31-17+,32-20+,33-21+/t38-/m1/s1 > KOTBWDXNYNTNIY-FLCXWBGESA-N > C40H56O > 552.887 > 552.433116423 > 1 > 97 > 72.84821137072687 > 0 > 1 > 0 > 0 > (1R)-2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-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 > 9.09 > 9.893270033 > -6.04 > 0 > 2 > 0 > 19.49116072083822 > -0.834366300705362 > 20.23 > 193.12730000000013 > 10 > 0 > 5.04e-04 g/l > (1R)-2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-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 > NP0065667 > (2R)-beta,beta-Caroten-2-ol $$$$