Mrv1652309022214142D 25 29 0 0 1 0 999 V2000 -1.5017 -0.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 -1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8184 -2.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -0.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -1.1844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8434 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 -2.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 -2.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 -3.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 -3.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 -2.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -2.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 -3.1164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7273 -3.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 -2.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 -3.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 -3.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 -3.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0983 -3.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 -4.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -3.8061 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 12 1 1 0 0 0 15 25 1 0 0 0 0 M END > NP0155221 > NP-MRD > CC1(C)O[C@H]1CC1=C(O)C=CC2=C1O[C@@H]1[C@H]2COC2=CC(O)=CC=C12 > InChI=1S/C20H20O5/c1-20(2)17(25-20)8-13-15(22)6-5-11-14-9-23-16-7-10(21)3-4-12(16)19(14)24-18(11)13/h3-7,14,17,19,21-22H,8-9H2,1-2H3/t14-,17-,19-/m0/s1 > VFEZVGIIHWZKLN-FNHZYXHNSA-N > C20H20O5 > 340.375 > 340.131073744 > 5 > 45 > 36.060209203645044 > 1 > 2 > 0 > 1 > (1R,10R)-15-{[(2S)-3,3-dimethyloxiran-2-yl]methyl}-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol > 3.09 > 3.1131611013333327 > -4.01 > 0 > 5 > 0 > 9.923057283287568 > 9.25672640513049 > -4.0683738963005025 > 71.45 > 91.65910000000001 > 2 > 1 > 3.35e-02 g/l > (1R,10R)-15-{[(2S)-3,3-dimethyloxiran-2-yl]methyl}-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol > 0 > NP0155221 > (1r,10r)-15-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol $$$$