Mrv1652309092206322D 28 30 0 0 1 0 999 V2000 4.2696 3.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 3.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 3.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 3.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1203 2.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 1.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 0.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 0.2537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0913 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 -0.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 -0.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -1.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 -2.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9126 -1.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1615 -2.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7766 -0.5005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7890 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.4074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9816 1.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 0.3090 0.0000 C 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 23 28 1 0 0 0 0 8 28 1 0 0 0 0 19 28 1 0 0 0 0 M END > NP0279229 > NP-MRD > C\C=C(\C)C(=O)OC1C[C@@]2(C)OC2C(OC(C)=O)[C@@]2(C)CC[C@@](O)(C(C)C)C12 > InChI=1S/C22H34O6/c1-8-13(4)19(24)27-15-11-21(7)18(28-21)17(26-14(5)23)20(6)9-10-22(25,12(2)3)16(15)20/h8,12,15-18,25H,9-11H2,1-7H3/b13-8-/t15?,16?,17?,18?,20-,21+,22+/m0/s1 > WVPPLOSRTXOZAP-ROKKKVRVSA-N > C22H34O6 > 394.508 > 394.235538815 > 4 > 62 > 42.64500575900463 > 1 > 1 > 0 > 1 > (2aS,5R,7aR)-2-(acetyloxy)-5-hydroxy-2a,7a-dimethyl-5-(propan-2-yl)-decahydroazuleno[5,6-b]oxiren-6-yl (2Z)-2-methylbut-2-enoate > 3.1239846213333324 > 1 > 3 > 0 > 14.265399678853392 > -3.1201141804695265 > 85.36 > 103.6794 > 6 > 1 > (2aS,5R,7aR)-2-(acetyloxy)-5-hydroxy-5-isopropyl-2a,7a-dimethyl-hexahydro-1aH-azuleno[5,6-b]oxiren-6-yl (2Z)-2-methylbut-2-enoate > 0 > NP0279229 > (2as,5r,7ar)-2-(acetyloxy)-5-hydroxy-5-isopropyl-2a,7a-dimethyl-hexahydro-1ah-azuleno[5,6-b]oxiren-6-yl (2z)-2-methylbut-2-enoate $$$$