Mrv1533004241509212D 46 49 0 0 0 0 999 V2000 1.4374 3.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 3.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 3.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 2.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1379 2.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 1.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 2.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 3.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 3.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6502 4.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 3.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 0.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5525 0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 0.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 -0.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9909 -1.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 -1.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -1.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 -0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -0.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6494 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 -0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3272 2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 2.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 2.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 3.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9718 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 2.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 3.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4572 3.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 4.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 3.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0175 1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 1.8694 0.0000 O 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 2 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 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 11 15 1 0 0 0 0 7 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 6 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 31 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 35 40 1 0 0 0 0 6 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 34 45 1 0 0 0 0 29 45 1 0 0 0 0 45 46 1 0 0 0 0 M END > NP0329666 > NP-MRD > CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C1(OC3(C)C)C(C)(O)C(OC(C)=O)C(OC(C)=O)C2OC(=O)C1=COC=C1 > InChI=1S/C30H38O16/c1-13(31)40-12-29-24(44-17(5)35)20(41-14(2)32)19-22(36)30(29,46-27(19,6)7)28(8,38)23(43-16(4)34)21(42-15(3)33)25(29)45-26(37)18-9-10-39-11-18/h9-11,19-25,36,38H,12H2,1-8H3 > FELPYEJQNHFWHQ-UHFFFAOYSA-N > C30H38O16 > 654.618 > 654.215985144 > 9 > 84 > 62.14090273165557 > 0 > 2 > 0 > 0 > 3,4,7,8-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl furan-3-carboxylate > 1.68 > -0.7859529986666668 > -3.16 > 1 > 4 > 0 > 13.651238384972313 > 12.665402463615667 > -3.052639663896867 > 220.62999999999997 > 145.63010000000003 > 14 > 0 > 4.52e-01 g/l > 3,4,7,8-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl furan-3-carboxylate > 0 > NP0329666 > 3,4,7,8-tetrakis(acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl furan-3-carboxylate $$$$