Mrv1533004161522242D 31 33 0 0 0 0 999 V2000 2.1460 -5.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 -4.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 -3.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -3.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0252 -3.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 -2.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9257 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 -1.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8487 1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 -0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0262 1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 2.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 2.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 1.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4316 2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7729 0.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3409 0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 -0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -0.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9765 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7882 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 -4.5464 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 6 1 4 0 0 0 7 8 2 0 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 11 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 10 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 2 31 1 0 0 0 0 M END > NP0263223 > NP-MRD > CC(=O)CC1OC(=O)C2=C1C(C=COC(=O)C=C(C)C)C1(C)CCC(C2C1)C(C)(C)O > InChI=1S/C25H34O6/c1-14(2)11-20(27)30-10-8-18-22-19(12-15(3)26)31-23(28)21(22)16-13-25(18,6)9-7-17(16)24(4,5)29/h8,10-11,16-19,29H,7,9,12-13H2,1-6H3 > MVUDXFSQXGOIMY-UHFFFAOYSA-N > C25H34O6 > 430.541 > 430.235538815 > 4 > 65 > 47.357582463546926 > 1 > 1 > 0 > 1 > 2-[11-(2-hydroxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate > 3.61 > 3.5533375986666664 > -4.92 > 1 > 3 > 0 > 19.0608819624 > 11.701497161159066 > -0.7487450404185617 > 89.9 > 118.0461 > 7 > 1 > 5.20e-03 g/l > 2-[11-(2-hydroxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate > 0 > NP0263223 > 2-[11-(2-hydroxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate $$$$