Mrv1533004241505592D 42 48 0 0 0 0 999 V2000 0.7432 -3.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -2.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9484 -1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 -0.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1073 0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 0.1796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 0.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 1.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 0.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 1.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 0.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0889 -1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2746 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 -2.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 0.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4704 0.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1055 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 2.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8936 1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 1.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4698 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0763 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -1.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3586 -1.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4918 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 -1.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 -1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 -1.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 -2.1370 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 5 9 1 0 0 0 0 9 10 1 0 0 0 0 9 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 12 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 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 22 24 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 22 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 5 39 1 0 0 0 0 15 39 1 0 0 0 0 35 40 1 0 0 0 0 3 40 1 0 0 0 0 15 40 1 0 0 0 0 20 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > NP0200375 > NP-MRD > CCN1CC2(COC)C3C(OC)C4C1C3(C1CC3(O)C(OC(=O)C5=CC=CC=C5)C1C4(O)CC3OC)C(CC2O)OC > InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)19(34)12-20(39-3)32-18-13-30(36)21(40-4)14-31(37,23(26(32)33)24(41-5)25(29)32)22(18)27(30)42-28(35)17-10-8-7-9-11-17/h7-11,18-27,34,36-37H,6,12-16H2,1-5H3 > WCJLKJORIRSXRT-UHFFFAOYSA-N > C32H45NO9 > 587.71 > 587.309432033 > 9 > 87 > 62.83678197822852 > 1 > 3 > 0 > 0 > 11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate > 1.53 > -0.2940511163333337 > -3.08 > 1 > 7 > 1 > 13.943930019795197 > 12.825309108405282 > 9.781664185204292 > 127.15000000000003 > 151.5561 > 9 > 0 > 4.92e-01 g/l > 11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate > 0 > NP0200375 > 11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate $$$$