Mrv1533004231517312D 46 51 0 0 0 0 999 V2000 -2.0033 2.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4312 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2872 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8866 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 0.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9162 1.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 1.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4023 2.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2227 2.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 1.5757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 2.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3442 2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 3.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5433 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9713 2.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 2.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 -0.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -1.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6323 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2044 -0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9756 -1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5476 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1747 -1.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -1.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 -1.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9713 -2.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 -1.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 -0.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 -1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 -1.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5384 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2849 0.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 2.3455 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 1 0 0 0 0 4 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 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 8 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 6 22 1 0 0 0 0 9 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 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 1 0 0 0 0 30 32 1 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 24 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 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 41 42 2 0 0 0 0 41 43 1 0 0 0 0 38 44 1 0 0 0 0 23 44 1 0 0 0 0 44 45 2 0 0 0 0 6 46 1 0 0 0 0 2 46 1 0 0 0 0 M END > NP0321132 > NP-MRD > CC1CCCC2(CC3=C(C(=O)C(C)(OC(C)=O)C(=O)C3=CO2)C2=C3CC4(CCCC(C)O4)OC=C3C(=O)C(C)(OC(C)=O)C2=O)O1 > InChI=1S/C34H38O12/c1-17-9-7-11-33(43-17)13-21-23(15-41-33)27(37)31(5,45-19(3)35)29(39)25(21)26-22-14-34(12-8-10-18(2)44-34)42-16-24(22)28(38)32(6,30(26)40)46-20(4)36/h15-18H,7-14H2,1-6H3 > XDRDZGUQBNNXLG-UHFFFAOYSA-N > C34H38O12 > 638.666 > 638.236326664 > 10 > 84 > 64.92164682784757 > 1 > 0 > 0 > 0 > 5-[7-(acetyloxy)-6',7-dimethyl-6,8-dioxo-4,6,7,8-tetrahydrospiro[2-benzopyran-3,2'-oxane]-5-yl]-6',7-dimethyl-6,8-dioxo-4,6,7,8-tetrahydrospiro[2-benzopyran-3,2'-oxane]-7-yl acetate > 3.08 > 3.5257696286666667 > -5.22 > 0 > 6 > -2 > 18.89367519661322 > 18.249283757097466 > -3.9575482059508444 > 157.8 > 160.83880000000002 > 5 > 0 > 3.88e-03 g/l > 5-[7-(acetyloxy)-6',7-dimethyl-6,8-dioxo-4H-spiro[2-benzopyran-3,2'-oxane]-5-yl]-6',7-dimethyl-6,8-dioxo-4H-spiro[2-benzopyran-3,2'-oxane]-7-yl acetate > 0 > NP0321132 > 5-[7-(acetyloxy)-6',7-dimethyl-6,8-dioxo-4h-spiro[2-benzopyran-3,2'-oxan]-5-yl]-6',7-dimethyl-6,8-dioxo-4h-spiro[2-benzopyran-3,2'-oxan]-7-yl acetate $$$$