Mrv1652309122205592D 42 46 0 0 1 0 999 V2000 4.1721 0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 -0.8730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6971 -1.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 -1.4988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7800 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5851 -2.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1437 -1.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 -3.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7086 -1.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -0.4894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9683 -1.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6722 -0.4327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2066 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 -1.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -2.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 -1.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 0.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 1.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 0.1976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7656 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 0.5258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2283 1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 0.7910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6324 1.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 2.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7006 2.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1047 2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9318 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -0.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 -0.5576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6877 -1.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 -1.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0918 -1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6195 -2.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3981 -2.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 -0.2849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9222 -1.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 2 0 0 0 0 13 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 22 23 1 0 0 0 0 23 2 1 6 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 35 41 1 0 0 0 0 25 41 1 0 0 0 0 3 41 1 0 0 0 0 41 42 1 6 0 0 0 M END > NP0324123 > NP-MRD > COC(=O)C[C@H]1C(C)(C)[C@@H](C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)C[C@H](OC(C)=O)[C@@](O)(C4=C)[C@]12C)OC(C)=O > InChI=1S/C31H40O11/c1-16-30-14-25(35)41-26(19-9-10-38-15-19)28(30,6)13-23(40-18(3)33)31(16,36)29(7)20(11-24(34)37-8)27(4,5)21(39-17(2)32)12-22(29)42-30/h9-10,15,20-23,26,36H,1,11-14H2,2-8H3/t20-,21+,22-,23-,26-,28-,29+,30-,31-/m0/s1 > XRRWVGIPDVQIEG-ZSGZCBFRSA-N > C31H40O11 > 588.65 > 588.257062108 > 6 > 82 > 59.70999162943318 > 1 > 1 > 0 > 0 > methyl 2-[(1R,3S,5R,7S,8R,9S,10S,12S,13R)-5,10-bis(acetyloxy)-13-(furan-3-yl)-9-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0^{1,12}.0^{3,8}]heptadecan-7-yl]acetate > 1.830080998333334 > 1 > 5 > 0 > 12.795417388275762 > -2.869468594377638 > 147.79999999999998 > 143.36739999999998 > 8 > 0 > methyl [(1R,3S,5R,7S,8R,9S,10S,12S,13R)-5,10-bis(acetyloxy)-13-(furan-3-yl)-9-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0^{1,12}.0^{3,8}]heptadecan-7-yl]acetate > 0 > NP0324123 > methyl 2-[(1r,3s,5r,7s,8r,9s,10s,12s,13s)-5,10-bis(acetyloxy)-13-(furan-3-yl)-9-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate $$$$