Mrv1533004231520572D 42 46 0 0 0 0 999 V2000 -0.7697 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 2.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 3.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4523 3.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 2.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4172 2.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 4.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9857 4.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 4.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 4.8831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7759 3.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 2.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 1.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4011 1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -0.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -0.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7753 0.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5252 -1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1782 0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5586 -0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 -0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9128 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0681 1.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6866 0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 1.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 2.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9626 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -1.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -2.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 -3.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9759 -2.6599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -1.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 -2.1854 0.0000 O 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 6 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 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 27 33 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 16 34 1 0 0 0 0 34 35 2 0 0 0 0 29 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 36 41 1 0 0 0 0 41 42 2 0 0 0 0 M END > NP0301167 > NP-MRD > COC(=O)CC1C(C)(C)C(=O)C=CC1(C)C1C(OC(C)=O)C(OC(C)=O)C2(C)C(CC3OC23C1=C)C1=CC(O)OC1=O > InChI=1S/C31H38O11/c1-14-24(29(6)10-9-20(34)28(4,5)19(29)13-22(35)38-8)25(39-15(2)32)26(40-16(3)33)30(7)18(12-21-31(14,30)42-21)17-11-23(36)41-27(17)37/h9-11,18-19,21,23-26,36H,1,12-13H2,2-8H3 > JMIQCHPADBJCET-UHFFFAOYSA-N > C31H38O11 > 586.634 > 586.241412044 > 7 > 80 > 59.11837393570609 > 1 > 1 > 0 > 0 > methyl 2-{2-[2,3-bis(acetyloxy)--(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-1b-methyl-5-methylidene-octahydroindeno[1,7a-b]oxiren-4-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate > 2.26 > 2.3651893543333338 > -4.93 > 1 > 5 > 0 > 15.552299972883258 > 11.824458010764795 > -4.16299372365813 > 155.03 > 145.37890000000004 > 9 > 0 > 6.82e-03 g/l > methyl 2-{2-[2,3-bis(acetyloxy)--(5-hydroxy-2-oxo-5H-furan-3-yl)-1b-methyl-5-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate > 0 > NP0301167 > methyl 2-{2-[4,5-bis(acetyloxy)-3-(5-hydroxy-2-oxo-5h-furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate $$$$