NP0145341 Mrv2104 05272323343D 62 65 0 0 0 0 999 V2000 -0.7998 2.1768 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 1.4791 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 1.0611 -0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 1.0967 -0.3857 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1630 0.0393 0.6749 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6876 0.0351 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4959 1.3265 1.0218 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9186 2.2730 2.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 2.0505 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3469 -1.1282 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -2.4366 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3562 -3.4509 1.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 -2.4226 1.1502 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -1.4174 0.3983 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7271 -1.8529 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1742 -1.5557 1.0060 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7465 -2.6619 0.4790 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5395 -2.4416 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 -3.6132 -1.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 -1.4141 -1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -1.4813 -2.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 -0.8020 -1.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3919 -0.8659 -2.5132 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2028 -0.0699 -0.5546 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7300 -0.2212 -0.2548 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1751 1.1239 -0.7479 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1723 2.0690 -0.3504 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 1.4405 -0.6134 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4368 1.9083 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8411 1.8777 -1.8932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 3.1790 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3798 1.6135 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 2.2940 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 0.5867 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 2.1077 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 0.9842 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 0.3569 1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 1.0426 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 2.7149 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 3.0975 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7569 1.7481 3.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 2.6252 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 2.7630 -0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 1.3463 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4221 -1.1667 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 -1.6067 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 -2.9407 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -1.3962 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 -0.6174 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -1.7600 2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -3.5875 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4928 -2.8724 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9967 -3.4754 -2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -3.7748 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 -4.5246 -1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8122 -0.5814 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -0.3645 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 1.1573 -1.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 1.4859 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1152 1.6337 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5373 2.9996 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1003 2.8102 -1.8041 H 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 6 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 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 28 30 1 6 0 0 0 26 2 1 0 0 0 0 14 5 1 0 0 0 0 25 20 1 0 0 0 0 28 24 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 1 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 24 56 1 1 0 0 0 25 57 1 1 0 0 0 26 58 1 6 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > NP0145341 > NP-MRD > [H]O[C@@]1(O[C@@]2([H])\C(=C([H])\C([H])([H])[C@]3([H])C(=C([H])C(=O)O[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])\C(=C3\OC(=O)[C@@]1([H])[C@]23[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1/C24H32O6/c1-12(2)15-11-17(25)29-23(5)10-9-14(4)20-18-19(22(26)28-20)24(6,27)30-21(18)13(3)7-8-16(15)23/h7,11-12,16,18-19,21,27H,8-10H2,1-6H3/b13-7+,20-14+/t16-,18+,19-,21+,23+,24-/s2 > YFSGXEZLCNEFQI-PWKMMWTLNA-N > C24H32O6 > 416.514 > 416.21988875 > 4 > 62 > 45.34600758879092 > 1 > 1 > 0 > 1 > (1E,5S,10R,12E,14R,16R,17S,20R)-16-hydroxy-2,5,13,16-tetramethyl-9-(propan-2-yl)-6,15,19-trioxatetracyclo[12.5.1.0^{5,10}.0^{17,20}]icosa-1,8,12-triene-7,18-dione > 3.2666585740000023 > 0 > 4 > 0 > 11.770807982641617 > -4.211248588392556 > 82.06 > 113.68719999999999 > 1 > 1 > (1E,5S,10R,12E,14R,16R,17S,20R)-16-hydroxy-9-isopropyl-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0^{5,10}.0^{17,20}]icosa-1,8,12-triene-7,18-dione > 0 > NP0145341 > (1e,5s,10r,12e,14r,16r,17s,20r)-16-hydroxy-9-isopropyl-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,8,12-triene-7,18-dione $$$$