Mrv1652304292200252D 39 44 0 0 1 0 999 V2000 2.4376 -0.4002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6066 0.4073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9918 0.9574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2080 0.7000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0390 -0.1075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6538 -0.6576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4849 -1.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2188 -0.1964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1192 0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 1.1102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2054 1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 -1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 -2.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 -1.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0116 -1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 -0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7619 1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4268 0.4961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7648 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 0.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8891 0.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7304 1.0815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9096 1.1651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5717 1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 2.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 2.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 3.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1994 4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 2.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 2.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 3.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9514 2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 -0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 6 7 1 6 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 1 0 0 0 4 11 1 1 0 0 0 8 12 1 6 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 16 1 0 0 0 0 5 17 1 6 0 0 0 3 18 1 1 0 0 0 3 19 1 6 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 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 20 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 6 0 0 0 25 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 21 38 1 0 0 0 0 1 38 1 6 0 0 0 20 39 1 1 0 0 0 M END > NP0077265 > NP-MRD > COC(=O)C[C@@H]1[C@@]2(C)[C@H]3[C@H](OC2=CC(=O)[C@]1(C)COC(C)=O)[C@H](O)[C@@]1(C)[C@@H](C[C@H]2O[C@@]12[C@]3(C)O)C1=COC=C1 > InChI=1S/C29H36O10/c1-14(30)37-13-25(2)17(10-21(32)35-6)26(3)19(11-18(25)31)38-22-23(26)28(5,34)29-20(39-29)9-16(15-7-8-36-12-15)27(29,4)24(22)33/h7-8,11-12,16-17,20,22-24,33-34H,9-10,13H2,1-6H3/t16-,17-,20+,22-,23+,24-,25+,26+,27+,28+,29+/m0/s1 > SSBUNXSELYWXIC-LOAFHAHDSA-N > C29H36O10 > 544.597 > 544.230847359 > 7 > 75 > 56.59322440998102 > 1 > 2 > 0 > 0 > [(1S,2R,3S,5R,7R,8R,9R,10S,15S,16R,17S)-7-(furan-3-yl)-2,9-dihydroxy-16-(2-methoxy-2-oxoethyl)-2,8,15,17-tetramethyl-14-oxo-4,11-dioxapentacyclo[8.7.0.0^{3,5}.0^{3,8}.0^{12,17}]heptadec-12-en-15-yl]methyl acetate > 2.46 > 0.814769978666664 > -3.73 > 1 > 6 > 0 > 13.855607779827949 > 13.226919631398268 > -2.7859643551262727 > 145.02999999999997 > 135.09129999999996 > 7 > 0 > 1.02e-01 g/l > [(1S,2R,3S,5R,7R,8R,9R,10S,15S,16R,17S)-7-(furan-3-yl)-2,9-dihydroxy-16-(2-methoxy-2-oxoethyl)-2,8,15,17-tetramethyl-14-oxo-4,11-dioxapentacyclo[8.7.0.0^{3,5}.0^{3,8}.0^{12,17}]heptadec-12-en-15-yl]methyl acetate > 0 > NP0077265 > (+)-Toonaciliatin C $$$$