Mrv1652309062205352D 31 33 0 0 1 0 999 V2000 3.3812 -0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8218 -0.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4381 0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1684 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 1.1641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5823 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5072 2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8732 3.1476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1183 3.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8103 2.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 1.0891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5988 1.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5238 2.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7192 2.6211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3940 3.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 3.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9193 2.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 4.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 1.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 3.0725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6679 3.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 4.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 5.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1655 5.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 5.8953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 6.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2224 7.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 8.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 7.3231 0.0000 C 0 0 0 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 1 0 0 0 0 3 5 1 0 0 0 0 6 3 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 12 11 1 6 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > NP0224998 > NP-MRD > COC(C)(C)[C@@H]1CC[C@@]2(C)C[C@@H]1C1=C([C@H](CC(C)=O)OC1)[C@@H]2\C=C\OC(=O)C=C(C)C > InChI=1S/C26H38O5/c1-16(2)12-23(28)30-11-9-21-24-19(15-31-22(24)13-17(3)27)18-14-26(21,6)10-8-20(18)25(4,5)29-7/h9,11-12,18,20-22H,8,10,13-15H2,1-7H3/b11-9+/t18-,20-,21+,22+,26+/m1/s1 > GTMBXTBPXJSKGF-RBVMSYSJSA-N > C26H38O5 > 430.585 > 430.271924324 > 4 > 69 > 48.70057441381404 > 1 > 0 > 0 > 1 > (E)-2-[(1S,5S,7R,8S,11R)-11-(2-methoxypropan-2-yl)-8-methyl-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0^{2,6}]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate > 3.9878994609999996 > 1 > 3 > 0 > 18.706652299370297 > -3.8717880959183444 > 61.830000000000005 > 122.83689999999997 > 8 > 1 > (E)-2-[(1S,5S,7R,8S,11R)-11-(2-methoxypropan-2-yl)-8-methyl-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0^{2,6}]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate > 0 > NP0224998 > (1e)-2-[(1s,5s,7r,8s,11r)-11-(2-methoxypropan-2-yl)-8-methyl-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate $$$$