Mrv1652304292203112D 40 42 0 0 1 0 999 V2000 2.7587 2.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 3.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1864 2.6748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8829 3.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 2.7349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6488 1.9107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9523 1.4684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2211 1.8505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5247 1.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7935 1.7903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2042 1.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1891 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4934 0.5463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9646 0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2119 0.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 1.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9832 0.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2709 -0.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7183 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 1.5286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0765 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8077 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 2.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3453 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3105 3.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2758 4.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5446 4.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9723 4.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1517 3.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8481 3.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 4.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 3.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4205 3.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6893 4.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 1 0 0 0 9 16 1 1 0 0 0 8 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 7 21 1 6 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 21 29 1 0 0 0 0 6 30 1 6 0 0 0 5 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 3 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 2 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > NP0080139 > NP-MRD > C[C@H]1C(=O)O[C@H]2\C=C(CO)/[C@@H](C[C@H](OC(C)=O)[C@@]3(C)[C@H](CC=C(C)[C@@H]3[C@@H](OC(C)=O)[C@]12O)OC(C)=O)OC(C)=O > InChI=1S/C28H38O12/c1-13-8-9-21(37-16(4)31)27(7)22(38-17(5)32)11-20(36-15(3)30)19(12-29)10-23-28(35,14(2)26(34)40-23)25(24(13)27)39-18(6)33/h8,10,14,20-25,29,35H,9,11-12H2,1-7H3/b19-10-/t14-,20+,21-,22-,23-,24+,25+,27+,28-/m0/s1 > ZCCOSAFBTMVYPD-OTUZSYAJSA-N > C28H38O12 > 566.6 > 566.236326664 > 7 > 78 > 56.42440118693389 > 1 > 2 > 0 > 0 > (1S,2R,3S,4R,7S,8Z,10R,12S,13R,14S)-2,12,14-tris(acetyloxy)-3-hydroxy-9-(hydroxymethyl)-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0^{3,7}]heptadeca-8,16-dien-10-yl acetate > 1.54 > -0.22987649200000076 > -3.44 > 1 > 3 > 0 > 15.074872900109519 > 12.348915743059692 > -2.766998449107228 > 171.96 > 136.5803 > 9 > 0 > 2.06e-01 g/l > (1S,2R,3S,4R,7S,8Z,10R,12S,13R,14S)-2,12,14-tris(acetyloxy)-3-hydroxy-9-(hydroxymethyl)-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0^{3,7}]heptadeca-8,16-dien-10-yl acetate > 0 > NP0080139 > (+)-16-Hydroxymilolide M $$$$