Mrv1652306242119543D 73 76 0 0 0 0 999 V2000 -2.8236 -0.3754 3.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 -0.6632 1.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6395 -1.7322 1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4262 -2.8675 2.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -1.2575 0.2123 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1374 -0.5320 0.3547 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3499 -0.9070 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 -1.9952 -0.8586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 -0.1628 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 1.0029 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 1.5512 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 1.6872 0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 1.2152 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 1.9412 0.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 0.0412 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2311 -0.4382 -1.1536 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1349 -1.0634 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3639 -0.6731 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0285 0.4452 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 -1.3864 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -0.6415 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 -1.8248 -1.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 -0.4554 -0.4347 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6797 0.5270 -1.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4874 1.2887 -1.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 -1.4421 -1.1192 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4483 -1.2948 -0.5647 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4301 -0.7728 -1.5556 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3256 0.1352 -0.7299 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3272 -0.6871 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0591 1.0959 -1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 1.1254 -2.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9229 2.0006 -0.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3735 0.8050 0.2571 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3682 -0.2496 0.5094 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9589 0.1135 0.7241 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6153 1.5604 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -0.9766 3.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4707 0.4601 3.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -2.1645 -0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9157 0.8647 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 2.5514 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 1.7476 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 2.6069 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1911 2.7922 0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7627 0.4289 -1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -1.1346 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7347 -1.8954 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7287 1.3949 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1405 0.4079 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7622 0.5167 -1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6232 -0.5904 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0142 -1.8792 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 -2.0966 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4386 -2.2878 -1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 1.8862 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 0.7282 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 2.0756 -2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7279 -2.4897 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1393 -1.2917 -2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8088 -2.2889 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9724 -0.2591 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0417 -1.6303 -1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0423 -0.7720 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3406 -0.2347 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3801 -1.7303 -0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6796 2.3788 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9584 0.9699 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0668 1.7845 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 -0.8382 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 2.2875 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 1.8893 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 1.6752 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 3 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 15 21 2 0 0 0 0 21 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 6 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 36 2 1 0 0 0 0 21 9 1 0 0 0 0 36 23 1 0 0 0 0 35 27 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 5 40 1 6 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 14 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 22 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 1 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 1 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 M END > NP0014268 > NP-MRD > [H]OC(=O)[C@@]1(C([H])([H])[H])C([H])([H])[C@@]2([H])C([H])([H])[C@]3(OC([H])([H])[H])[C@@]([H])(OC(=O)C4=C(C([H])=C(O[H])C(=C4O[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=O)C(=C([H])[H])[C@]3(C([H])([H])[H])[C@@]2([H])C1([H])[H] > InChI=1S/C29H36O8/c1-14(2)8-9-18-20(30)10-15(3)21(23(18)32)25(33)37-24-22(31)16(4)28(6)19-13-27(5,26(34)35)11-17(19)12-29(24,28)36-7/h8,10,17,19,24,30,32H,4,9,11-13H2,1-3,5-7H3,(H,34,35)/t17-,19-,24-,27-,28+,29-/m0/s1 > ZYJFDUIHHCEQNR-UHFFFAOYSA-N > C29H36O8 > 512.599 > 512.241018119 > 7 > 73 > 55.41104113627888 > 0 > 3 > 0 > 0 > (1S,2S,4S,6S,8R,9R)-9-[2,4-dihydroxy-6-methyl-3-(3-methylbut-2-en-1-yl)benzoyloxy]-8-methoxy-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0^{2,6}]undecane-4-carboxylic acid > 3.97 > 6.388234426333332 > -4.70 > 1 > 4 > -1 > 8.50475986437397 > 4.046255221724701 > -4.055888121225483 > 130.36 > 137.5636 > 7 > 0 > 1.01e-02 g/l > (1S,2S,4S,6S,8R,9R)-9-[2,4-dihydroxy-6-methyl-3-(3-methylbut-2-en-1-yl)benzoyloxy]-8-methoxy-1,4-dimethyl-11-methylidene-10-oxotricyclo[6.3.0.0^{2,6}]undecane-4-carboxylic acid > 0 > NP0014268 > Sterhirsutin K $$$$