Mrv1652309072200472D 42 46 0 0 1 0 999 V2000 7.5148 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 0.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2314 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 3.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 3.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9511 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6255 -0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 -0.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6943 0.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9832 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 -1.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0707 -0.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0463 1.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 2.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6181 1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 3.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6113 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 1.7419 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 1 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 1 0 0 0 8 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 12 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 22 21 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 1 0 0 0 25 26 1 1 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 29 31 1 0 0 0 0 25 31 1 6 0 0 0 23 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 33 38 1 0 0 0 0 22 38 1 0 0 0 0 17 38 1 0 0 0 0 38 39 1 6 0 0 0 10 40 1 0 0 0 0 5 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M END > NP0239235 > NP-MRD > CC(=O)O[C@@H]1C[C@@](O)([C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@]12C)[C@@]1(C)OC(=O)C=C1 > InChI=1S/C33H48O9/c1-18(34)39-24-12-14-29(6)21-10-11-22-32(9,31(21,8)25(40-19(2)35)16-23(29)28(24,4)5)26(41-20(3)36)17-33(22,38)30(7)15-13-27(37)42-30/h13,15,21-26,38H,10-12,14,16-17H2,1-9H3/t21-,22+,23+,24+,25+,26-,29-,30+,31+,32+,33-/m1/s1 > PTIIBLPSYSWNCJ-OCZNDGGWSA-N > C33H48O9 > 588.738 > 588.329833126 > 5 > 90 > 63.80815593751837 > 1 > 1 > 0 > 0 > (1R,2S,5S,7R,9S,10R,11R,12R,14R,15S)-5,9-bis(acetyloxy)-14-hydroxy-2,6,6,10,11-pentamethyl-14-[(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-12-yl acetate > 3.586987085666666 > 1 > 5 > 0 > 13.308682027834543 > -3.5385824810251707 > 125.43 > 151.9713 > 7 > 0 > (1R,2S,5S,7R,9S,10R,11R,12R,14R,15S)-5,9-bis(acetyloxy)-14-hydroxy-2,6,6,10,11-pentamethyl-14-[(2S)-2-methyl-5-oxofuran-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-12-yl acetate > 0 > NP0239235 > (1r,3r,3ar,3br,4s,5ar,7s,9as,9br,11as)-4,7-bis(acetyloxy)-1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2s)-2-methyl-5-oxofuran-2-yl]-dodecahydrocyclopenta[a]phenanthren-3-yl acetate $$$$