Mrv0541 04121502242D 66 70 0 0 0 0 999 V2000 7.8592 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3325 -19.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1919 -20.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8564 -21.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0359 -21.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9989 -20.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5509 -20.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2538 -19.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0608 -19.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3158 -18.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1227 -18.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3777 -17.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7637 -17.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9567 -17.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0187 -17.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -18.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 -20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 -19.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -18.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -20.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -20.2125 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 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 1 0 0 0 0 12 13 1 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 17 18 1 0 0 0 0 18 19 2 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 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 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 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 34 39 1 0 0 0 0 39 40 1 0 0 0 0 31 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 29 43 1 0 0 0 0 43 44 1 0 0 0 0 26 44 1 0 0 0 0 36 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 49 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 24 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 55 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 22 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 64 66 1 0 0 0 0 M END > NP0296240 > NP-MRD > CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(CC)C(C)C)C(OC(C)=O)C(O)C1OC(C)=O > InChI=1S/C57H98O9/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-51(60)62-38-50-53(63-41(6)58)52(61)54(64-42(7)59)55(66-50)65-45-33-35-56(8)44(37-45)29-30-46-48-32-31-47(57(48,9)36-34-49(46)56)40(5)27-28-43(11-2)39(3)4/h29,39-40,43,45-50,52-55,61H,10-28,30-38H2,1-9H3 > IDNHTAQIFZKCAN-UHFFFAOYSA-N > C57H98O9 > 927.402 > 926.721084736 > 6 > 164 > 115.46641955838871 > 0 > 1 > 0 > 0 > [3,5-bis(acetyloxy)-6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-4-hydroxyoxan-2-yl]methyl octadecanoate > 9.86 > 14.766083199333337 > -7.69 > 1 > 5 > 0 > 12.920768635597621 > -3.7082557987896 > 117.59 > 263.27580000000006 > 31 > 0 > 1.91e-05 g/l > [3,5-bis(acetyloxy)-6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-4-hydroxyoxan-2-yl]methyl octadecanoate > 0 > NP0296240 > [3,5-bis(acetyloxy)-6-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxyoxan-2-yl]methyl octadecanoate $$$$