Mrv1533004171515362D 52 59 0 0 0 0 999 V2000 -2.2738 1.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 -0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4599 -0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 -1.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9667 -2.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7008 -2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 -2.1878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 -3.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 -1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 -0.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6644 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 -1.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 -2.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4367 -2.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 -3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -0.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 -2.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 -1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5648 -0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0894 1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 1.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 2.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4113 2.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 3.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7986 3.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 3.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5953 4.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 2.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4839 -0.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1889 -0.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 -0.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2341 0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 1.1835 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 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 28 30 1 0 0 0 0 5 30 1 0 0 0 0 30 31 1 0 0 0 0 3 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 3 33 1 0 0 0 0 32 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 2 0 0 0 0 38 40 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 34 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 28 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 41 52 1 0 0 0 0 46 52 1 0 0 0 0 M END > NP0160507 > NP-MRD > CCC12CC3C4(O1)C(O2)C1(O)C(OC(C)=O)C2(C)CC1(O)C1(COC(=O)CC21)C4(O)C(OC(C)=O)C(OC(C)=O)C3(C)C(OC(C)=O)C1=COC=C1 > InChI=1S/C36H44O16/c1-8-31-12-22-30(7,24(47-16(2)37)20-9-10-45-13-20)25(48-17(3)38)26(49-18(4)39)36(44)32-15-46-23(41)11-21(32)29(6)14-33(32,42)34(43,27(29)50-19(5)40)28(51-31)35(22,36)52-31/h9-10,13,21-22,24-28,42-44H,8,11-12,14-15H2,1-7H3 > UBQKNAYHOXZOBM-UHFFFAOYSA-N > C36H44O16 > 732.732 > 732.262935337 > 10 > 96 > 70.99012989919643 > 0 > 3 > 0 > 0 > (furan-3-yl)[9,10,21-tris(acetyloxy)-5-ethyl-1,11,20-trihydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁷.0¹²,²⁰]docosan-8-yl]methyl acetate > 1.24 > -0.7351794596666659 > -2.46 > 1 > 8 > 0 > 12.282399275297154 > 11.59287970432024 > -2.863442292218805 > 223.78999999999996 > 166.18770000000006 > 11 > 0 > 2.54e+00 g/l > furan-3-yl[9,10,21-tris(acetyloxy)-5-ethyl-1,11,20-trihydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁷.0¹²,²⁰]docosan-8-yl]methyl acetate > 0 > NP0160507 > furan-3-yl[9,10,21-tris(acetyloxy)-5-ethyl-1,11,20-trihydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁷.0¹²,²⁰]docosan-8-yl]methyl acetate $$$$