Marvin 10291209432D 52 57 0 0 0 0 999 V2000 7.1696 -8.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0911 -8.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 -8.0449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7032 -8.4217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9711 -7.9668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5470 -7.1825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5329 -7.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 -8.4185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2534 -6.7820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9619 -7.2069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3706 -7.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 -6.8045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2655 -5.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 -6.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 -7.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 -6.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -7.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 -9.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0271 -6.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 -5.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -4.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8318 -5.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2908 -9.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8874 -9.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 -7.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 -5.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4029 -5.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1139 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8365 -5.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5506 -5.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5427 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 -7.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -6.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 -4.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8243 -5.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8343 -4.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5538 -4.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2611 -4.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6818 -9.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2533 -9.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6489 -10.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4287 -9.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2213 -11.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6162 -12.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4376 -12.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8628 -11.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4652 -10.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4234 -5.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -5.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -5.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9819 -6.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 -7.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 25 1 6 0 0 0 11 12 1 0 0 0 0 12 26 1 1 0 0 0 26 27 1 0 0 0 0 9 13 1 6 0 0 0 27 28 1 0 0 0 0 3 4 1 0 0 0 0 28 29 2 0 0 0 0 6 14 1 6 0 0 0 29 30 1 0 0 0 0 4 5 1 0 0 0 0 30 31 2 0 0 0 0 14 15 1 0 0 0 0 31 32 1 0 0 0 0 6 9 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 15 16 1 0 0 0 0 27 34 2 0 0 0 0 7 8 1 0 0 0 0 19 35 1 0 0 0 0 15 17 2 0 0 0 0 35 36 1 0 0 0 0 8 5 1 0 0 0 0 36 37 2 0 0 0 0 8 18 1 6 0 0 0 36 38 1 0 0 0 0 10 9 1 0 0 0 0 4 39 1 1 0 0 0 10 19 1 6 0 0 0 39 40 1 0 0 0 0 10 5 1 0 0 0 0 40 41 1 0 0 0 0 13 20 1 0 0 0 0 40 42 2 0 0 0 0 5 1 1 1 0 0 0 41 43 2 0 0 0 0 20 21 2 0 0 0 0 43 44 1 0 0 0 0 6 7 1 0 0 0 0 44 45 2 0 0 0 0 20 22 1 0 0 0 0 45 46 1 0 0 0 0 1 2 1 0 0 0 0 46 47 2 0 0 0 0 47 41 1 0 0 0 0 2 23 1 0 0 0 0 16 48 2 0 0 0 0 10 12 1 0 0 0 0 48 49 1 0 0 0 0 2 24 1 0 0 0 0 49 50 2 0 0 0 0 2 3 1 0 0 0 0 50 51 1 0 0 0 0 3 11 1 0 0 0 0 51 52 2 0 0 0 0 52 16 1 0 0 0 0 M END > CHEBI:65364 > 15-acetoxyorbiculin G > A dihydroagarofuran sesquiterpenoid that is the 15-acetoxy derivative of orbiculin G. It is isolated from Microtropis japonica and exhibits antitubercular activity. > 3 > (3R,5S,5aR,6R,7S,9R,9aS,10R)-6-(acetyloxy)-5a-[(acetyloxy)methyl]-2,2,9-trimethyloctahydro-2H-3,9a-methano-1-benzoxepine-5,7,10-triyl tribenzoate > C40H42O11 > 698.75490 > 698.27271 > 0 > [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)c1ccccc1)OC(=O)c1ccccc1 > InChI=1S/C40H42O11/c1-24-21-31(48-35(43)27-15-9-6-10-16-27)34(47-26(3)42)39(23-46-25(2)41)32(49-36(44)28-17-11-7-12-18-28)22-30-33(40(24,39)51-38(30,4)5)50-37(45)29-19-13-8-14-20-29/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1 > YOWBCRNBOMRTPW-NPIRVHPYSA-N > 18842487 > 18471021 $$$$