Mrv1652309032211132D 49 54 0 0 1 0 999 V2000 3.8353 -6.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 -6.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 -5.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 -5.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6762 -4.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -4.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -5.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7686 -3.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7912 -3.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 -4.3963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0816 -5.2209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4706 -5.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -5.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 -6.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -5.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -3.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7373 -3.1140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2744 -2.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 -2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -3.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0115 -1.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4534 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7337 -0.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 0.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 0.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1351 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 0 0 0 6 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 19 25 1 0 0 0 0 25 26 1 0 0 0 0 17 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 13 31 1 0 0 0 0 31 32 1 1 0 0 0 31 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 35 37 2 0 0 0 0 33 38 1 0 0 0 0 39 38 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 39 47 1 0 0 0 0 47 48 1 1 0 0 0 49 47 1 1 0 0 0 9 49 1 0 0 0 0 31 49 1 0 0 0 0 M END > NP0172343 > NP-MRD > CCCCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC=C2[C@]2(C)[C@@H](C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12)OC(C)=O)[C@@H]1C[C@H](O[C@@H]1OC(C)=O)[C@@H]1OC1(C)C > InChI=1S/C40H58O9/c1-11-12-13-14-32(44)47-27-21-39(9)25(24-19-26(34-37(6,7)49-34)48-35(24)46-23(3)42)15-16-28(39)40(10)31(45-22(2)41)20-29-36(4,5)30(43)17-18-38(29,8)33(27)40/h16-18,24-27,29,31,33-35H,11-15,19-21H2,1-10H3/t24-,25-,26-,27+,29-,31+,33+,34-,35-,38-,39-,40+/m0/s1 > GTRFQPHJLLOEKM-XRSRLCKASA-N > C40H58O9 > 682.895 > 682.408083448 > 6 > 107 > 76.85579842708128 > 0 > 0 > 0 > 0 > (1R,2S,7R,9R,10R,14S,15S,17R)-9-(acetyloxy)-14-[(2R,3S,5S)-2-(acetyloxy)-5-[(2S)-3,3-dimethyloxiran-2-yl]oxolan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-17-yl hexanoate > 6.26 > 6.400488915666664 > -6.39 > 1 > 6 > 0 > -3.961036130575407 > 117.73000000000002 > 183.70040000000006 > 12 > 0 > 2.80e-04 g/l > (1R,2S,7R,9R,10R,14S,15S,17R)-9-(acetyloxy)-14-[(2R,3S,5S)-2-(acetyloxy)-5-[(2S)-3,3-dimethyloxiran-2-yl]oxolan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-17-yl hexanoate > 0 > NP0172343 > (1s,3br,4r,5ar,9as,9br,10r,11as)-4-(acetyloxy)-1-[(2r,3s,5s)-2-(acetyloxy)-5-[(2s)-3,3-dimethyloxiran-2-yl]oxolan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl hexanoate $$$$