Mrv1533004171506512D 51 56 0 0 0 0 999 V2000 -0.9033 -4.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1758 -4.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 -4.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -3.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3693 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6569 -0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4797 -0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 0.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 -0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 -1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2419 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7737 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7419 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0222 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8343 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3661 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1782 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 1.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 3.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 3.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5222 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 -3.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1881 -3.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 -2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 -3.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3315 -4.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -4.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 -4.9111 0.0000 C 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 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 9 14 1 0 0 0 0 6 14 1 0 0 0 0 8 15 1 0 0 0 0 15 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 1 0 0 0 0 15 20 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 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 2 0 0 0 0 30 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 24 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 38 43 1 0 0 0 0 18 43 1 0 0 0 0 23 43 1 0 0 0 0 43 44 1 0 0 0 0 5 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 M END > NP0327825 > NP-MRD > CC(=O)OC(C1CC(C(OC(C)=O)O1)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(OC(C)=O)C31C)C(C)(C)OC(C)=O > InChI=1S/C40H60O11/c1-21(41)46-31-14-15-37(10)29-13-16-39-20-40(39,38(29,11)32(47-22(2)42)19-30(37)35(31,6)7)17-12-27(39)26-18-28(50-34(26)49-24(4)44)33(48-23(3)43)36(8,9)51-25(5)45/h26-34H,12-20H2,1-11H3 > MPUXRIPOXUIXNC-UHFFFAOYSA-N > C40H60O11 > 716.909 > 716.413562752 > 6 > 111 > 79.1043598659203 > 0 > 0 > 0 > 0 > 1-(acetyloxy)-1-[5-(acetyloxy)-4-[3,7-bis(acetyloxy)-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-15-yl]oxolan-2-yl]-2-methylpropan-2-yl acetate > 5.40 > 4.6315399573333345 > -6.59 > 1 > 6 > 0 > -4.359135553780715 > 140.73000000000002 > 182.44200000000004 > 13 > 0 > 1.82e-04 g/l > 1-(acetyloxy)-1-[5-(acetyloxy)-4-[3,7-bis(acetyloxy)-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-15-yl]oxolan-2-yl]-2-methylpropan-2-yl acetate > 0 > NP0327825 > 1-(acetyloxy)-1-[5-(acetyloxy)-4-[3,7-bis(acetyloxy)-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-15-yl]oxolan-2-yl]-2-methylpropan-2-yl acetate $$$$