Mrv1652309032210002D 62 68 0 0 1 0 999 V2000 6.5351 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 0.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1793 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6317 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 0.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3961 1.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5154 0.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0557 0.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 0.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8424 -0.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -0.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 -1.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -1.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 1.4445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5592 2.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 3.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 3.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 2.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4859 1.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 2.1301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2601 2.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 2.7481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9679 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 3.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 3.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 4.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 5.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 2.2316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7945 2.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 2.0136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7781 2.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 3.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8937 3.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 2.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 4.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 1.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 0.9401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4741 0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 0.8696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5723 0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7442 -0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 2.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 2.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 2.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4004 0.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6774 -0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6685 -0.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -2.0879 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 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 11 13 2 0 0 0 0 9 14 1 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 16 18 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 9 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 29 35 1 0 0 0 0 25 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 20 37 1 0 0 0 0 37 38 1 1 0 0 0 22 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 39 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 6 0 0 0 45 47 1 1 0 0 0 47 48 1 6 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 47 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 52 56 2 0 0 0 0 45 57 1 0 0 0 0 20 57 1 0 0 0 0 57 58 1 6 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 M END > NP0171475 > NP-MRD > CCC(=O)OC1C2(OC(C)=O)C(OC(=O)C(\C)=C\C)[C@]3(C)CC22OC4(C)O[C@@]11[C@H](CC(=O)OC)[C@](C)(CC(OC(C)=O)[C@]1(O4)[C@]2(C)[C@H]3CC(=O)OC)[C@H](OC(C)=O)C1=COC=C1 > InChI=1S/C44H56O18/c1-13-22(3)34(51)58-35-38(8)21-41-39(9,27(38)17-31(49)52-11)44-29(55-23(4)45)19-37(7,33(56-24(5)46)26-15-16-54-20-26)28(18-32(50)53-12)42(44,61-40(10,60-41)62-44)36(57-30(48)14-2)43(35,41)59-25(6)47/h13,15-16,20,27-29,33,35-36H,14,17-19,21H2,1-12H3/b22-13+/t27-,28+,29?,33+,35?,36?,37-,38+,39+,40?,41?,42-,43?,44-/m0/s1 > CSEGILGYHYMKDO-UMZMWZKFSA-N > C44H56O18 > 872.914 > 872.346664963 > 3.31 > -3.53 > 2.59e-01 g/l > NP0171475 > (1s,5r,6s,7r,12r,15s,16r)-3,13-bis(acetyloxy)-15-[(s)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1⁵,⁸.0¹,¹².0³,⁸.0⁷,¹²]octadecan-4-yl (2e)-2-methylbut-2-enoate $$$$