Mrv1652309122217362D 45 46 0 0 1 0 999 V2000 -10.4718 -2.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7573 -3.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7573 -4.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4718 -4.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1863 -5.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1863 -5.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3738 -5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9041 -6.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9007 -6.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6152 -5.8555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3297 -6.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6152 -5.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9007 -4.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.2880 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5134 -3.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0428 -2.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0428 -2.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3284 -1.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3284 -0.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0428 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6139 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6139 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8994 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8994 1.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 1.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 2.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 3.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 4.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 4.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 4.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 5.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 5.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 6.5195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6580 6.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 6.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0008 5.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9974 5.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8133 7.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 7.7834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0614 8.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 7.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1883 7.2947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5382 7.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4037 7.0398 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 2 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 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 1 0 0 0 2 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 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 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 30 32 1 0 0 0 0 32 33 2 0 0 0 0 34 33 1 6 0 0 0 34 35 1 1 0 0 0 34 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 42 43 1 0 0 0 0 34 43 1 0 0 0 0 43 44 1 6 0 0 0 43 45 1 1 0 0 0 M END > NP0330347 > NP-MRD > C\C(\C=C\C=C(/C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C/C=C/C=C(\C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O > InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-21,23-24,33-34,41-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1 > MMYRDQLKHIDOMP-CLONMANBSA-N > C40H58O5 > 618.899 > 618.428424968 > 5 > 103 > 75.28168543769934 > 0 > 5 > 0 > 0 > (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol > 5.5302343186666665 > 0 > 2 > 0 > 13.928731079082059 > 12.875472059669466 > -2.737440620218127 > 101.15 > 197.54120000000006 > 9 > 0 > (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol > 0 > NP0330347 > (1s,2r,4s)-1-[(1e,3e,5e,7e,9e,11e,13e,15e)-18-[(2r,4s)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol $$$$