Mrv1652306202121433D 80 84 0 0 0 0 999 V2000 2.0644 5.3436 -4.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 4.2110 -3.5422 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8701 4.1548 -2.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 4.5292 -3.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5615 2.8632 -4.2172 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2277 2.5063 -3.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 1.3237 -4.4693 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5940 0.1099 -4.0265 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4937 -0.1867 -2.4996 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3788 -1.3823 -2.0885 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7656 -1.7939 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5157 -1.3242 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -0.5414 -1.8814 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7406 -1.4132 -2.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 0.7063 -1.3912 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8890 0.3890 -0.5168 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0287 0.3554 -1.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8209 -0.9560 0.2758 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8685 -1.1085 1.4796 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6165 -0.0891 2.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 -0.8537 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -1.5519 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2933 -2.6674 2.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -3.1853 2.7508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -3.0895 2.9228 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7976 -2.5507 4.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 -4.6363 3.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -2.6154 1.9423 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3782 -2.9983 2.3846 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3902 -2.7805 1.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3614 -3.7035 0.9356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 -1.3622 0.6257 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3473 -0.4238 1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 0.3845 -4.4677 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5692 1.7204 -3.9328 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8354 1.9721 -4.5418 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 5.4423 -5.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3685 6.3088 -3.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0116 5.1773 -3.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8652 3.8869 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1298 5.1258 -1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 3.4398 -1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 5.4123 -3.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 3.0373 -5.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2896 1.1988 -4.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 1.4655 -5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -0.7687 -4.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 0.6923 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 -2.2068 -2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 -1.0690 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -2.3647 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -2.2570 -3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 -0.8355 -3.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 -1.8462 -2.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 1.3316 -2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 1.3261 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0476 1.2318 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0903 1.2171 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -1.7208 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1921 0.8482 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 0.1961 3.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9471 -0.4693 3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4868 -0.0040 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3724 -1.3007 1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0079 -1.4815 4.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 -2.7375 4.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5264 -3.0352 5.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 -5.0269 3.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9954 -5.0845 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7914 -5.0064 3.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 -3.2016 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 -2.4531 3.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -4.0620 2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1956 0.6324 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 -0.5937 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -0.5811 2.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7224 -0.4281 -4.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 0.4022 -5.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 1.6169 -2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 2.9187 -4.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 8 34 1 0 0 0 0 30 32 1 0 0 0 0 18 32 1 0 0 0 0 25 28 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 8 7 1 0 0 0 0 34 35 1 0 0 0 0 35 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 18 16 1 0 0 0 0 23 24 2 0 0 0 0 32 12 1 0 0 0 0 30 31 2 0 0 0 0 15 16 1 0 0 0 0 19 20 1 1 0 0 0 15 13 1 0 0 0 0 25 26 1 1 0 0 0 32 33 1 1 0 0 0 13 12 1 0 0 0 0 9 48 1 1 0 0 0 22 23 1 0 0 0 0 25 27 1 0 0 0 0 22 21 2 0 0 0 0 28 71 1 6 0 0 0 23 25 1 0 0 0 0 18 59 1 6 0 0 0 19 18 1 0 0 0 0 16 17 1 0 0 0 0 28 29 1 0 0 0 0 13 14 1 6 0 0 0 12 11 2 0 0 0 0 8 47 1 6 0 0 0 11 10 1 0 0 0 0 35 36 1 0 0 0 0 10 9 1 0 0 0 0 5 2 1 0 0 0 0 9 13 1 0 0 0 0 2 1 1 0 0 0 0 29 30 1 0 0 0 0 2 3 1 0 0 0 0 9 8 1 0 0 0 0 2 4 1 1 0 0 0 22 64 1 0 0 0 0 21 63 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 16 57 1 1 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 11 51 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 1 0 0 0 5 44 1 6 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 17 58 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 36 80 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 43 1 0 0 0 0 M END > NP0036602 > NP-MRD > [H]O[C@]1([H])C([H])([H])[C@]([H])(C([H])([H])O[C@@]1([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])=C2[C@@]1(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]2(C(=O)C([H])([H])[C@@]2([H])C(C(=O)C([H])=C([H])[C@]12C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C30H44O6/c1-26(2)21-13-23(34)30(7)20-9-8-17(16-12-18(31)25(36-15-16)27(3,4)35)29(20,6)14-19(32)24(30)28(21,5)11-10-22(26)33/h9-11,16-19,21,24-25,31-32,35H,8,12-15H2,1-7H3/t16-,17+,18-,19-,21+,24-,25-,28+,29+,30-/m1/s1 > OVKILCOBTQTDJC-IPDYAFNSSA-N > C30H44O6 > 500.676 > 500.313789137 > 6 > 80 > 56.33251496328134 > 1 > 3 > 0 > 0 > (1R,2S,7R,10R,14S,15S,17R)-17-hydroxy-14-[(3S,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-diene-5,9-dione > 3.43 > 2.9232696506666667 > -4.53 > 0 > 5 > 0 > 14.43358866276985 > 13.820094967969567 > -2.8644206467105997 > 104.05999999999999 > 139.4187 > 2 > 0 > 1.47e-02 g/l > (1R,2S,7R,10R,14S,15S,17R)-17-hydroxy-14-[(3S,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-diene-5,9-dione > 0 > NP0036602 > toonaciliatavarin A $$$$