Mrv1652309052217342D 45 48 0 0 1 0 999 V2000 -1.0622 -3.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 -3.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0394 -2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6155 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 -2.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 -1.6517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4723 -1.0041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3521 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -0.5413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5447 0.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3483 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -0.1528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9556 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 0.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8237 1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 0.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -0.8812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3662 -0.7868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8578 -1.4493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5298 -2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -2.3008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3823 -3.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8739 -3.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6935 -3.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 -4.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -1.6382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2023 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -2.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 -3.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 -4.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7408 -4.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 -1.8538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2710 -2.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 -2.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -3.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 -4.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -1.3656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1858 -0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0105 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 0.0904 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 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 10 9 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 14 12 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 20 14 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 24 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 29 24 1 0 0 0 0 20 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 29 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 39 41 1 0 0 0 0 35 42 1 0 0 0 0 42 6 1 1 0 0 0 42 10 1 0 0 0 0 22 43 1 0 0 0 0 21 43 1 1 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M END > NP0215827 > NP-MRD > CCC(=O)O[C@H]1[C@@H](C)C[C@@]2(O)[C@H]1[C@@H](OC(=O)C(C)C)[C@]1(COC(C)=O)[C@@H](C[C@H]3[C@@H]([C@H]1[C@](C)(OC(C)=O)C2=O)C3(C)C)OC(C)=O > InChI=1S/C33H48O12/c1-11-22(37)43-25-16(4)13-33(40)24(25)27(44-28(38)15(2)3)32(14-41-17(5)34)21(42-18(6)35)12-20-23(30(20,8)9)26(32)31(10,29(33)39)45-19(7)36/h15-16,20-21,23-27,40H,11-14H2,1-10H3/t16-,20-,21+,23-,24+,25-,26-,27+,31-,32+,33+/m0/s1 > QICPIDYQTBMXLI-HAUPHRLVSA-N > C33H48O12 > 636.735 > 636.314576986 > 7 > 93 > 66.21014049283826 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-bis(acetyloxy)-1-[(acetyloxy)methyl]-7-hydroxy-5,9,12,12-tetramethyl-8-oxo-4-(propanoyloxy)tetracyclo[8.5.0.0^{3,7}.0^{11,13}]pentadecan-2-yl 2-methylpropanoate > 2.7983744009999976 > 1 > 4 > 0 > 12.584748110802614 > -3.8552311763349367 > 168.8 > 155.13860000000003 > 13 > 0 > (1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-bis(acetyloxy)-1-[(acetyloxy)methyl]-7-hydroxy-5,9,12,12-tetramethyl-8-oxo-4-(propanoyloxy)tetracyclo[8.5.0.0^{3,7}.0^{11,13}]pentadecan-2-yl 2-methylpropanoate > 0 > NP0215827 > (1r,2r,3r,4s,5s,7r,9s,10r,11s,13s,15r)-9,15-bis(acetyloxy)-1-[(acetyloxy)methyl]-7-hydroxy-5,9,12,12-tetramethyl-8-oxo-4-(propanoyloxy)tetracyclo[8.5.0.0³,⁷.0¹¹,¹³]pentadecan-2-yl 2-methylpropanoate $$$$