Mrv1652309062210252D 38 42 0 0 1 0 999 V2000 3.3449 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5328 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 0.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0009 -1.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 -1.9614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0934 -2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -2.8825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1858 -3.0277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9055 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -3.3182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6221 -3.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 -2.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -2.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 -2.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -4.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -3.8037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9343 -4.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 -4.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -3.5132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3100 -4.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.3680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9702 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 -3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9844 -1.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 -2.4737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0532 -3.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -1.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3408 -1.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 -1.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -1.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7118 -2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 2 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 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 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 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 7 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 6 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 31 37 1 1 0 0 0 38 29 1 6 0 0 0 5 38 1 0 0 0 0 25 38 1 0 0 0 0 M END > NP0228685 > NP-MRD > CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@@](O)([C@H]12)[C@]1(C)CCC(=O)O1 > InChI=1S/C31H48O7/c1-18(32)36-20-17-22-27(5)12-10-23(37-19(2)33)26(3,4)21(27)9-13-28(22,6)29(7)15-16-31(35,25(20)29)30(8)14-11-24(34)38-30/h20-23,25,35H,9-17H2,1-8H3/t20-,21+,22+,23-,25-,27+,28-,29-,30+,31-/m1/s1 > HZLWOGKTVDZVAN-DQSLAYBYSA-N > C31H48O7 > 532.718 > 532.340003886 > 4 > 86 > 59.130140154269796 > 1 > 1 > 0 > 0 > (1S,2R,5R,7R,10R,11R,14R,15S,16R)-5-(acetyloxy)-14-hydroxy-2,6,6,10,11-pentamethyl-14-[(2S)-2-methyl-5-oxooxolan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-16-yl acetate > 3.948051732333334 > 0 > 5 > 0 > 13.384495241080497 > -3.50542178155139 > 99.13000000000001 > 140.46380000000002 > 5 > 0 > (1S,2R,5R,7R,10R,11R,14R,15S,16R)-5-(acetyloxy)-14-hydroxy-2,6,6,10,11-pentamethyl-14-[(2S)-2-methyl-5-oxooxolan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-16-yl acetate > 0 > NP0228685 > (1r,3ar,3br,5ar,7r,9ar,9bs,11r,11as)-7-(acetyloxy)-1-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2s)-2-methyl-5-oxooxolan-2-yl]-dodecahydrocyclopenta[a]phenanthren-11-yl acetate $$$$