457964 -OEChem-03282407222D 58 61 0 1 0 0 0 0 0999 V2000 4.8208 3.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 -3.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 -3.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 2.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3955 0.4554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4894 -0.5820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4945 0.8893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6333 -1.1754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5024 1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 2.6460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2720 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -2.2580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6948 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 2.6460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4775 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3112 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6835 -2.7287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5753 -2.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 -3.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -2.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7217 3.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 1.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9291 -1.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 1.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 2.0992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 3.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7134 1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 0.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9165 0.8893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 0.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 0.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0782 -0.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5253 -1.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0954 -1.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 -0.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0776 1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9056 2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6644 -0.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 0.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 0.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -3.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8361 -2.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1741 -1.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 -3.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 -3.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6646 -1.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0901 -2.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 -2.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0837 3.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 3.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 3.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -3.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 3.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 1 55 1 0 0 0 0 20 2 1 1 0 0 0 2 56 1 0 0 0 0 3 22 1 0 0 0 0 3 57 1 0 0 0 0 4 24 1 0 0 0 0 4 58 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 6 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 6 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 6 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 26 1 1 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 6 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 6 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 M END > 457964 > 1 > 524 > 4 > 4 > 2 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAABgAAAGDAAAAAGgAACAAAD1SggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAAAQAAFAAABAAGAwPAPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyl-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol > (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol > (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol > (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol > (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyl-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol > (1S,2S,5R,6R,7R,10S,12R,13R)-2,6-dimethyl-6,13-dimethylol-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol > InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1 > NOFOAYPPHIUXJR-APNQCZIXSA-N > 2.5 > 338.24570956 > C20H34O4 > 338.5 > CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O > C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O > 80.9 > 338.24570956 > 0 > 24 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 1 6 10 29 6 14 23 6 20 2 5 5 9 6 6 19 6 7 25 6 8 26 5 $$$$