Mrv1533004191523182D 37 43 0 0 0 0 999 V2000 5.5974 2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8491 2.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 2.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 1.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 3.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 2.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 1.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4936 0.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0426 1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3918 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8305 0.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -0.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 1.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3877 2.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 0.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0989 1.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7029 2.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 3.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 3.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1717 4.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4746 4.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 4.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 2.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 3.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4247 3.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4173 3.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 2.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 3.4178 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 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 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 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 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 20 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 18 35 1 0 0 0 0 35 36 1 0 0 0 0 7 36 1 0 0 0 0 11 36 1 0 0 0 0 36 37 1 0 0 0 0 M END > NP0152083 > NP-MRD > COC(=O)C(O)C1C2(C)CC3(O)C(C(=O)C2O)C24OC22CC(=O)OC(C5=COC=C5)C2(C)CCC4C13C > InChI=1S/C27H32O10/c1-22-11-25(33)18(15(29)19(22)31)27-13(24(25,3)17(22)16(30)21(32)34-4)5-7-23(2)20(12-6-8-35-10-12)36-14(28)9-26(23,27)37-27/h6,8,10,13,16-20,30-31,33H,5,7,9,11H2,1-4H3 > SZIDPCXTWHHMAY-UHFFFAOYSA-N > C27H32O10 > 516.543 > 516.19954723 > 7 > 69 > 50.962593099332594 > 1 > 3 > 0 > 0 > methyl 2-[6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate > 1.18 > 0.30528502333333307 > -3.05 > 0 > 7 > 0 > 12.425252355296713 > 10.644685150199363 > -2.8710296166814895 > 156.03000000000003 > 121.9466 > 4 > 0 > 4.65e-01 g/l > methyl 2-[6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate > 0 > NP0152083 > methyl 2-[6-(furan-3-yl)-15,18-dihydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate $$$$