Mrv1652309022219322D 41 45 0 0 1 0 999 V2000 9.6388 1.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 0.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1013 1.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.8280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4735 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9399 0.5120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1117 1.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0141 2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 1.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0483 1.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3733 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7899 -0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0947 -0.9665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7429 -1.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 -1.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6666 -2.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 -0.7885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6292 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 -1.2732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5092 -2.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 -0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -0.1168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6270 0.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2946 1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 0.3678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0121 1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8567 2.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 2.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 2.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 0.0320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1208 0.6108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4913 1.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 1.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2735 2.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 2.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 3.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7461 3.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 3.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 3.0446 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 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 5 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 32 27 1 1 0 0 0 19 32 1 0 0 0 0 32 33 1 0 0 0 0 7 33 1 0 0 0 0 33 34 1 6 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 36 41 1 0 0 0 0 M END > NP0159732 > NP-MRD > CC(=O)O[C@H]1C[C@]2([C@@H](OCC3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](O)C2=C1C)OC(C)=O)C(C)(C)O > InChI=1S/C31H42O10/c1-16-20(40-17(2)32)13-30(28(4,5)37)23(16)24(35)26(36)29(6)21(34)12-22-31(15-39-22,41-18(3)33)25(29)27(30)38-14-19-10-8-7-9-11-19/h7-11,20-22,24-27,34-37H,12-15H2,1-6H3/t20-,21-,22+,24+,25-,26-,27-,29+,30-,31-/m0/s1 > JAIXJBRZCLXJJI-RIXUOAFDSA-N > C31H42O10 > 574.667 > 574.277797552 > 8 > 83 > 59.898214081818125 > 1 > 4 > 0 > 0 > (1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-5-(acetyloxy)-2-(benzyloxy)-8,9,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0^{3,7}.0^{13,16}]hexadec-6-en-16-yl acetate > 1.63 > -0.09135758566666835 > -3.28 > 1 > 5 > 0 > 14.19064855644178 > 13.236248329751678 > -2.95194299256426 > 151.98000000000002 > 145.93359999999996 > 8 > 0 > 3.04e-01 g/l > (1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-5-(acetyloxy)-2-(benzyloxy)-8,9,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0^{3,7}.0^{13,16}]hexadec-6-en-16-yl acetate > 0 > NP0159732 > (1r,2s,3s,5s,8r,9r,10s,11s,13r,16s)-5-(acetyloxy)-2-(benzyloxy)-8,9,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate $$$$