Mrv1652309022214162D 47 51 0 0 1 0 999 V2000 1.9943 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 2.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 0.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 -0.5204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2950 0.0145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4209 0.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 2.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 1.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1172 0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8863 -0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5294 0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 1.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6149 -1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 -1.6127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7943 -1.3244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3073 -1.9705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6968 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -2.6580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0566 -2.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2544 -3.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 -2.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -1.3282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9707 -2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 -2.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2858 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 -2.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 -1.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 -0.6460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6001 -0.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1752 -0.1019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2509 0.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 1.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0758 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -0.5235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7236 -0.1640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7253 0.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 1.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 1.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2613 1.1565 0.0000 O 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 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 11 16 1 0 0 0 0 7 17 1 0 0 0 0 17 18 2 0 0 0 0 19 18 1 1 0 0 0 20 19 1 6 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 21 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 42 37 1 1 0 0 0 29 42 1 0 0 0 0 42 43 1 0 0 0 0 6 43 1 0 0 0 0 43 44 1 6 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 M END > NP0155245 > NP-MRD > C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]1(COC(C)=O)[C@H]3[C@H](C=C[C@H]1OC(=O)C1=CC=CC=C1)C(C)(C)O[C@]3(C)C2=O > InChI=1S/C35H42O12/c1-18-16-35(46-22(5)39)26(27(18)43-20(3)37)29(44-21(4)38)34(17-42-19(2)36)25(45-30(40)23-12-10-9-11-13-23)15-14-24-28(34)33(8,31(35)41)47-32(24,6)7/h9-15,18,24-29H,16-17H2,1-8H3/t18-,24-,25+,26+,27-,28-,29+,33-,34+,35+/m0/s1 > NCGTXICVVMZCBN-ZIFGLUNJSA-N > C35H42O12 > 654.709 > 654.267626792 > 7 > 89 > 66.38360090178908 > 0 > 0 > 0 > 0 > (1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0^{3,7}.0^{12,16}]hexadec-13-en-15-yl benzoate > 3.64 > 3.2368163040000004 > -5.02 > 1 > 5 > 0 > -4.259627196588926 > 157.8 > 163.17290000000006 > 12 > 0 > 6.20e-03 g/l > (1R,2R,3R,4S,5S,7R,9S,12S,15R,16R)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0^{3,7}.0^{12,16}]hexadec-13-en-15-yl benzoate > 0 > NP0155245 > (1r,2r,3r,4s,5s,7r,9s,12s,15r,16r)-2,4,7-tris(acetyloxy)-1-[(acetyloxy)methyl]-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.0³,⁷.0¹²,¹⁶]hexadec-13-en-15-yl benzoate $$$$