Mrv1652309082208452D 38 43 0 0 1 0 999 V2000 -2.0518 -1.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 -2.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1549 -3.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -2.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4061 -1.9944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6864 -1.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.7121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0618 0.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4973 0.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 0.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6514 1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.9676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 1 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 1.3784 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3895 -1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 -1.9614 0.0000 C 0 0 0 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 2 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 0 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 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 1 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 2 0 0 0 0 0 0 0 0 0 2.5903 -4.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -3.5132 0.0000 C 0 0 1 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 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 1 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 24 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 18 37 1 0 0 0 0 23 37 1 0 0 0 0 37 38 1 6 0 0 0 M END > NP0263539 > NP-MRD > CC(=O)O[C@H]1O[C@H](C[C@@H]1[C@H]1CC=C2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H](O)[C@@]21C)[C@@H]1OC1(C)C > InChI=1S/C32H48O6/c1-17(33)36-27-18(15-20(37-27)26-29(4,5)38-26)19-9-10-21-30(19,6)13-11-22-31(7)14-12-24(34)28(2,3)23(31)16-25(35)32(21,22)8/h10,18-20,22-23,25-27,35H,9,11-16H2,1-8H3/t18-,19-,20-,22-,23-,25+,26+,27+,30-,31-,32+/m1/s1 > JJYFVZGESRUJQK-IOZJAOPLSA-N > C32H48O6 > 528.73 > 528.345089266 > 5 > 86 > 60.68993240470678 > 1 > 1 > 0 > 0 > (2R,3R,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(1R,2R,7S,9S,10R,14R,15R)-9-hydroxy-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-11-en-14-yl]oxolan-2-yl acetate > 4.794937560333333 > 0 > 6 > 0 > 19.95498203948572 > -0.32770260351783176 > 85.36 > 144.2817 > 4 > 0 > (2R,3R,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(1R,2R,7S,9S,10R,14R,15R)-9-hydroxy-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-11-en-14-yl]oxolan-2-yl acetate > 0 > NP0263539 > (2r,3r,5r)-3-[(1r,3br,4s,5as,9ar,9br,11ar)-4-hydroxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5-[(2s)-3,3-dimethyloxiran-2-yl]oxolan-2-yl acetate $$$$