Mrv1533004151517022D 26 28 0 0 0 0 999 V2000 4.0502 3.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1522 2.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 2.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 2.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5963 1.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9383 1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5121 1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 0.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 -0.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2932 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 0.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4803 -0.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 -1.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1121 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 -0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5274 1.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9025 0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 -0.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 -1.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 -1.1103 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 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 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 10 21 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 12 26 1 0 0 0 0 M END > NP0281678 > NP-MRD > COC(=O)CC1(C)CCC2(O1)C(C)=CCC1C(C)(CCCC21C)OC=O > InChI=1S/C21H32O5/c1-15-7-8-16-19(3,9-6-10-20(16,4)25-14-22)21(15)12-11-18(2,26-21)13-17(23)24-5/h7,14,16H,6,8-13H2,1-5H3 > JOEMUKDFVFJYNY-UHFFFAOYSA-N > C21H32O5 > 364.482 > 364.22497413 > 3 > 58 > 40.40602509924177 > 1 > 0 > 0 > 1 > methyl 2-[5-(formyloxy)-2,5,5',8a-tetramethyl-4a,5,6,7,8,8a-hexahydro-4H-spiro[naphthalene-1,2'-oxolane]-5'-yl]acetate > 4.37 > 3.3116098346666667 > -5.09 > 0 > 3 > 0 > -4.243083006150602 > 61.830000000000005 > 98.27319999999999 > 5 > 1 > 2.94e-03 g/l > methyl 2-[5-(formyloxy)-2,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolane]-5'-yl]acetate > 0 > NP0281678 > methyl 2-[5-(formyloxy)-2,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-5'-yl]acetate $$$$