Mrv1533004241503312D 36 39 0 0 0 0 999 V2000 -2.7720 -1.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3457 -2.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6273 -0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 -1.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 -0.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5226 -0.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6916 -1.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7187 0.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4074 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5764 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2384 0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8497 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 2.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 2.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 2.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 1.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6456 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1238 1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 2.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1826 2.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8222 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7045 1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 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 0 0 0 0 10 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 10 15 1 0 0 0 0 15 16 2 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 4 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 27 34 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 8 35 1 0 0 0 0 19 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > NP0156517 > NP-MRD > CC=C(C)C(=O)OC1CC2(C)OC(=CC2=O)C(C)=CC2OC(=O)C3(CCC=C(CCC=C(C)C)C3)C12 > InChI=1S/C30H38O6/c1-7-19(4)27(32)34-24-17-29(6)25(31)15-22(36-29)20(5)14-23-26(24)30(28(33)35-23)13-9-12-21(16-30)11-8-10-18(2)3/h7,10,12,14-15,23-24,26H,8-9,11,13,16-17H2,1-6H3 > NUAAGTQABFJVQV-UHFFFAOYSA-N > C30H38O6 > 494.628 > 494.266838944 > 4 > 74 > 54.10395965088594 > 1 > 0 > 0 > 0 > 1',10'-dimethyl-3-(4-methylpent-3-en-1-yl)-6',13'-dioxo-7',14'-dioxaspiro[cyclohexane-1,5'-tricyclo[9.2.1.0⁴,⁸]tetradecane]-3,9',11'-trien-3'-yl 2-methylbut-2-enoate > 5.81 > 5.896065329000001 > -5.27 > 1 > 4 > 0 > -4.8830529740420445 > 78.9 > 142.1267 > 6 > 0 > 2.66e-03 g/l > 1',10'-dimethyl-3-(4-methylpent-3-en-1-yl)-6',13'-dioxo-7',14'-dioxaspiro[cyclohexane-1,5'-tricyclo[9.2.1.0⁴,⁸]tetradecane]-3,9',11'-trien-3'-yl 2-methylbut-2-enoate > 0 > NP0156517 > 1',10'-dimethyl-3-(4-methylpent-3-en-1-yl)-6',13'-dioxo-7',14'-dioxaspiro[cyclohexane-1,5'-tricyclo[9.2.1.0⁴,⁸]tetradecane]-3,9',11'-trien-3'-yl 2-methylbut-2-enoate $$$$