Mrv1652309032218232D 42 44 0 0 1 0 999 V2000 -12.3112 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8987 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0737 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6612 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8362 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4237 -6.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8362 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5987 -6.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1862 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3612 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9487 -5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3612 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1237 -5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7112 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4737 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6487 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1737 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2382 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0638 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 -1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6612 -8.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0292 -8.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0292 -9.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0737 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8987 -9.3987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.3112 -10.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3112 -8.6842 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 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 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 6 0 0 0 40 42 1 0 0 0 0 2 42 1 0 0 0 0 M END > NP0178405 > NP-MRD > C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C > InChI=1S/C40H56O2/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40-38(8,9)25-15-26-39(40,10)42-40/h11-14,16-24,27,35,41H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+/t35-,39-,40+/m1/s1 > LLQCIZOXARRMDO-HGTNRAFMSA-N > C40H56O2 > 568.886 > 568.428031043 > 2 > 98 > 73.23397741789366 > 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-[(1S,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol > 9.263565111333332 > 1 > 3 > 0 > 18.907213404525137 > -1.0895061233038223 > 32.76 > 192.01300000000006 > 10 > 0 > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol > 1 > NP0178405 > (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1s,6r)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol $$$$