Mrv1652304292201212D 33 36 0 0 1 0 999 V2000 4.4661 0.8922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1858 1.6682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7176 2.2989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5297 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2954 2.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 3.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 3.2200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0934 2.5893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3737 1.8134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8418 1.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 2.7345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0009 3.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5328 4.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1888 3.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9085 4.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 0.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 3.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8767 4.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 5.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6888 4.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2494 2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 0.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2146 -0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 -1.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0267 -0.6596 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 1 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 14 23 1 0 0 0 0 10 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 3 28 1 6 0 0 0 2 29 1 1 0 0 0 1 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > NP0078253 > NP-MRD > COC(=O)[C@H]1[C@H]2[C@H](C[C@@]3(O)C(C)(C)CC[C@H](OC(C)=O)[C@]3(C)[C@H]2CC2=C1C=CO2)OC(C)=O > InChI=1S/C25H34O8/c1-13(26)32-18-12-25(29)23(3,4)9-7-19(33-14(2)27)24(25,5)16-11-17-15(8-10-31-17)20(21(16)18)22(28)30-6/h8,10,16,18-21,29H,7,9,11-12H2,1-6H3/t16-,18-,19-,20+,21+,24-,25+/m0/s1 > VWWBNOKRESJKKB-XZTPUHSPSA-N > C25H34O8 > 462.539 > 462.225368055 > 4 > 67 > 48.06450354181761 > 1 > 1 > 0 > 1 > methyl (1S,2S,3S,7R,9S,10S,11S)-3,9-bis(acetyloxy)-7-hydroxy-2,6,6-trimethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-diene-11-carboxylate > 3.09 > 1.850978997333332 > -3.99 > 1 > 4 > 0 > 19.281793608069513 > 13.88388655353705 > -2.823791930957982 > 112.27000000000001 > 116.32839999999999 > 6 > 1 > 4.73e-02 g/l > methyl (1S,2S,3S,7R,9S,10S,11S)-3,9-bis(acetyloxy)-7-hydroxy-2,6,6-trimethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-diene-11-carboxylate > 0 > NP0078253 > (+)-7-Acetoxybonducellpin C $$$$