Mrv1652309052209402D 33 36 0 0 1 0 999 V2000 7.7938 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6136 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4968 0.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9647 2.0716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4249 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3962 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 2.0696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5716 1.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 2.2586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4701 1.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 2.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 2.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 2.9992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2018 3.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 4.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9311 4.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 4.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 4.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0439 4.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 3.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 2.8883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3876 3.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 3.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 2.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 2.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 2.8824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 4 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 3 31 1 0 0 0 0 31 32 2 0 0 0 0 33 23 1 6 0 0 0 13 33 1 0 0 0 0 19 33 1 0 0 0 0 M END > NP0210031 > NP-MRD > COC1=C(C(C)C)[C@@H]2C\C=C(C)/[C@H]3O[C@@](C)(OC)[C@H]4[C@@H]3\C(OC4=O)=C(C)/CC[C@@]2(C)OC1=O > InChI=1S/C26H36O7/c1-13(2)17-16-10-9-14(3)21-18-19(26(6,30-8)32-21)23(27)31-20(18)15(4)11-12-25(16,5)33-24(28)22(17)29-7/h9,13,16,18-19,21H,10-12H2,1-8H3/b14-9-,20-15+/t16-,18+,19-,21+,25+,26+/m0/s1 > QENNRKFMCLCAJM-QMEHOINASA-N > C26H36O7 > 460.567 > 460.246103499 > 5 > 69 > 49.998228646817985 > 1 > 0 > 0 > 1 > (5R,10S,12Z,14S,16R,17R,20S)-8,16-dimethoxy-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 > 3.5039547856666653 > 0 > 4 > 0 > 19.493345950776305 > -4.005596730000644 > 80.29000000000002 > 125.15699999999998 > 3 > 1 > (5R,10S,12Z,14S,16R,17R,20S)-9-isopropyl-8,16-dimethoxy-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 > NP0210031 > (1e,5r,10s,12z,14s,16r,17r,20s)-9-isopropyl-8,16-dimethoxy-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,8,12-triene-7,18-dione $$$$