Mrv1652309122216502D 39 42 0 0 1 0 999 V2000 6.0727 3.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 3.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7673 3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 4.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6179 1.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 2.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 2.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1520 2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8500 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3509 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9590 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 1.0799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0960 1.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2631 1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 2.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2319 1.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8842 1.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 -0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 14 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 14 23 1 0 0 0 0 23 24 2 0 0 0 0 25 23 1 0 0 0 0 25 26 1 1 0 0 0 27 25 1 0 0 0 0 27 28 1 6 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 33 34 1 0 0 0 0 34 8 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 33 37 1 6 0 0 0 32 37 1 6 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M END > NP0329948 > NP-MRD > CO[C@@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@@]3(O4)\C=C(C)\[C@H]1OC(=O)C(\C)=C\C)C2(C)C > InChI=1S/C30H42O9/c1-11-14(2)27(34)38-22-15(3)12-30-26(37-19(7)32)16(4)13-29(30,39-30)25(33)17(5)23(36-18(6)31)20-21(24(22)35-10)28(20,8)9/h11-12,16-17,20-24,26H,13H2,1-10H3/b14-11+,15-12+/t16-,17-,20-,21+,22+,23+,24+,26-,29-,30-/m0/s1 > TYBOWMPGVAEWCC-QCPPNTBASA-N > C30H42O9 > 546.657 > 546.282882932 > 6 > 81 > 57.635779468333034 > 1 > 0 > 0 > 0 > (1R,3S,4S,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-bis(acetyloxy)-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0^{1,12}.0^{5,7}]hexadec-10-en-9-yl (2E)-2-methylbut-2-enoate > 4.257773102999998 > 1 > 4 > 0 > 16.83938910338905 > -3.935841151204763 > 117.73 > 141.08470000000003 > 8 > 0 > (1R,3S,4S,5R,7S,8R,9R,10E,12S,13S,14S)-4,13-bis(acetyloxy)-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0^{1,12}.0^{5,7}]hexadec-10-en-9-yl (2E)-2-methylbut-2-enoate > 0 > NP0329948 > (1r,3s,4s,5r,7s,8r,9r,10e,12s,13s,14s)-4,13-bis(acetyloxy)-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-9-yl (2e)-2-methylbut-2-enoate $$$$