Mrv1533004171505492D 62 69 0 0 0 0 999 V2000 -0.4129 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9256 0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5916 1.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5771 1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 2.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1773 2.8233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 3.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 4.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 3.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3678 3.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 4.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 4.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 4.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 3.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 2.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 3.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 4.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 5.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3241 4.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 3.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 4.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 5.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 4.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 1.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 2.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0487 2.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 1.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0224 0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0421 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 -0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9293 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8277 1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2661 0.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4724 1.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3155 1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0677 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9907 1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5381 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 3.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 4.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 4.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 -1.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9843 -2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 -2.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2773 -2.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 -0.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5901 0.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 -0.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 1.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4338 1.9920 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 2 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 6 8 1 0 0 0 0 8 9 1 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 8 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 13 17 1 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 23 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 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 37 43 1 0 0 0 0 28 43 1 0 0 0 0 33 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 35 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 49 54 1 0 0 0 0 33 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 4 58 1 0 0 0 0 58 59 2 0 0 0 0 56 60 1 0 0 0 0 5 60 1 0 0 0 0 28 60 1 0 0 0 0 60 61 1 0 0 0 0 30 61 1 0 0 0 0 3 62 1 4 0 0 0 M END > NP0159242 > NP-MRD > CCC(O)=C1C2C34OC5(C)OC3(C(OC(C)=O)C(OC(C)=O)C2(C)C(OC(C)=O)C2=COC=C2)C2(COC(C)=O)C(CC(=O)OC)C3(C)CC2(O5)C(O)(C3OC(C)=O)C4OC1=O > InChI=1S/C42H50O20/c1-11-24(48)27-28-36(8,29(55-19(3)44)23-12-13-53-15-23)30(56-20(4)45)31(57-21(5)46)42-38(17-54-18(2)43)25(14-26(49)52-10)35(7)16-39(38)40(51,33(35)58-22(6)47)34(59-32(27)50)41(28,42)61-37(9,60-39)62-42/h12-13,15,25,28-31,33-34,48,51H,11,14,16-17H2,1-10H3 > VUDNTESGCKFDLS-UHFFFAOYSA-N > C42H50O20 > 874.842 > 874.28954401 > 12 > 112 > 83.95091632042097 > 0 > 2 > 0 > 0 > (furan-3-yl)[2,3,16-tris(acetyloxy)-19-[(acetyloxy)methyl]-15-hydroxy-6-(1-hydroxypropylidene)-18-(2-methoxy-2-oxoethyl)-4,12,17-trimethyl-7-oxo-8,11,13,20-tetraoxaheptacyclo[10.7.1.1¹⁴,¹⁷.0¹,¹⁰.0⁵,¹⁰.0⁹,¹⁵.0¹⁴,¹⁹]henicosan-4-yl]methyl acetate > 2.08 > 0.5917736219999998 > -2.91 > 1 > 8 > 0 > 11.890541098750383 > 8.39218806887617 > -2.8625522974144646 > 265.38999999999993 > 198.33750000000006 > 17 > 0 > 1.07e+00 g/l > furan-3-yl[2,3,16-tris(acetyloxy)-19-[(acetyloxy)methyl]-15-hydroxy-6-(1-hydroxypropylidene)-18-(2-methoxy-2-oxoethyl)-4,12,17-trimethyl-7-oxo-8,11,13,20-tetraoxaheptacyclo[10.7.1.1¹⁴,¹⁷.0¹,¹⁰.0⁵,¹⁰.0⁹,¹⁵.0¹⁴,¹⁹]henicosan-4-yl]methyl acetate > 0 > NP0159242 > furan-3-yl[2,3,16-tris(acetyloxy)-19-[(acetyloxy)methyl]-15-hydroxy-6-(1-hydroxypropylidene)-18-(2-methoxy-2-oxoethyl)-4,12,17-trimethyl-7-oxo-8,11,13,20-tetraoxaheptacyclo[10.7.1.1¹⁴,¹⁷.0¹,¹⁰.0⁵,¹⁰.0⁹,¹⁵.0¹⁴,¹⁹]henicosan-4-yl]methyl acetate $$$$