Mrv1652309122216232D 43 48 0 0 1 0 999 V2000 -0.3172 2.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 2.0639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8591 2.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 0.9557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1214 0.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 0.4349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6234 -0.3973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4104 -0.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 -0.1959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1890 -0.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6184 -0.9649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4677 -0.8888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9523 -1.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -2.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -0.1147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3099 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 0.0242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1392 -0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 -1.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 0.9368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9981 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7924 1.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 2.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0519 3.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 0.7979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1849 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2721 0.5201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3692 0.5431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3385 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1964 -1.1693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5251 -1.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 -2.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6736 -2.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8357 -1.3566 0.0000 O 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 5 6 1 6 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 13 11 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 27 31 2 0 0 0 0 26 32 1 0 0 0 0 21 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 36 35 1 1 0 0 0 19 36 1 0 0 0 0 36 37 1 0 0 0 0 7 37 1 0 0 0 0 11 37 1 0 0 0 0 37 38 1 1 0 0 0 13 39 1 0 0 0 0 8 39 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 M END > NP0329734 > NP-MRD > COC(=O)[C@@H](O)[C@@H]1[C@]2(C)C[C@]3(O)[C@@H]([C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@]2(O)[C@H](CC[C@]4(C)[C@@H](OC(=O)C[C@H]24)C2=COC=C2)[C@@]13C > InChI=1S/C31H40O12/c1-14(32)41-24-20-25(42-15(2)33)31(38)17(29(5)22(21(35)26(36)39-6)28(24,4)13-30(20,29)37)7-9-27(3)18(31)11-19(34)43-23(27)16-8-10-40-12-16/h8,10,12,17-18,20-25,35,37-38H,7,9,11,13H2,1-6H3/t17-,18+,20+,21+,22-,23+,24-,25+,27+,28+,29+,30+,31-/m1/s1 > CBZCSQUNKXXZJV-WIKSKLPJSA-N > C31H40O12 > 604.649 > 604.251976728 > 7 > 83 > 0.0 > 1 > 3 > 0 > 0 > methyl (2S)-2-[(1R,2R,5S,6R,10S,11S,12S,13S,14R,15S,17S,18R)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0^{2,11}.0^{5,10}.0^{13,17}]octadecan-18-yl]-2-hydroxyacetate > 0.19683240466666496 > 1 > 6 > 0 > 13.311493040902157 > 12.369927032802867 > -2.888716676858349 > 179.03 > 143.2595 > 8 > 0 > (S)-(methyl [(1R,2R,5S,6R,10S,11S,12S,13S,14R,15S,17S,18R)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0^{2,11}.0^{5,10}.0^{13,17}]octadecan-18-yl](hydroxy)acetate) > 0 > NP0329734 > methyl (2s)-2-[(1r,2r,5s,6r,10s,11s,12s,13s,14r,15s,17s,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate $$$$