Mrv1652309082203462D 38 42 0 0 1 0 999 V2000 3.3736 -5.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -4.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 -4.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -3.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -3.1787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7781 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -2.6932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4342 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 -3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 -3.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 -2.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 -1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -1.9173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8069 -1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 -1.7721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6190 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -1.4816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3228 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 -2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -2.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -2.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -1.5084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2939 -0.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9830 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 0.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 0.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8129 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4643 0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1616 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3193 1.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 -0.3186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4347 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 -0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -2.4028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4023 -3.0335 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 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 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 6 0 0 0 34 36 1 0 0 0 0 26 36 1 0 0 0 0 22 37 1 0 0 0 0 17 37 1 0 0 0 0 5 37 1 0 0 0 0 37 38 1 1 0 0 0 M END > NP0259794 > NP-MRD > CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC=C3[C@]12C)[C@H]1CO[C@H]([C@H](O)C1)C(C)(C)O > InChI=1S/C32H48O6/c1-18(33)38-26-16-24-28(2,3)25(35)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19-15-21(34)27(37-17-19)29(4,5)36/h10,12,14,19-21,23-24,26-27,34,36H,9,11,13,15-17H2,1-8H3/t19-,20+,21-,23+,24+,26-,27-,30+,31-,32+/m1/s1 > XDSCBKRFIHUOTA-ODJWRZPHSA-N > C32H48O6 > 528.73 > 528.345089266 > 5 > 86 > 59.51562605169107 > 1 > 2 > 0 > 0 > (1S,2R,7R,9R,10R,14S,15S)-14-[(3S,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl acetate > 4.109632152333333 > 0 > 5 > 0 > 14.576605270547113 > 13.86268180196383 > -3.129547355876613 > 93.06000000000002 > 147.8 > 4 > 0 > (1S,2R,7R,9R,10R,14S,15S)-14-[(3S,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl acetate > 0 > NP0259794 > (1s,3br,4r,5ar,9ar,9bs,11as)-1-[(3s,5r,6r)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate $$$$