Mrv1652304292201042D 27 28 0 0 1 0 999 V2000 3.6461 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8558 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 -0.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 -0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 -1.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0918 -0.8573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8821 -0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 0.1579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1235 0.9558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4626 1.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 1.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9472 1.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2465 0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 -1.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5057 -1.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -2.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 -2.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 -1.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6983 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 1.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 1 14 1 0 0 0 0 11 15 1 0 0 0 0 9 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 8 19 1 6 0 0 0 19 20 2 0 0 0 0 6 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 5 25 1 1 0 0 0 5 26 1 6 0 0 0 1 27 1 0 0 0 0 M END > NP0077935 > NP-MRD > CC(=O)O[C@H]1C[C@H]2[C@H](C\C(C)=C\CC\C(C)=C/CC[C@@]1(C)O)OC(=O)C2=C > InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19-18(16(3)21(24)27-19)13-20(26-17(4)23)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+/t18-,19+,20+,22-/m1/s1 > MYSVBLKFHOXPIV-RHPRMSACSA-N > C22H32O5 > 376.493 > 376.22497413 > 3 > 59 > 41.60117586978933 > 1 > 1 > 0 > 1 > (3aR,5S,6R,15aS)-6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,7H,8H,11H,12H,15H,15aH-cyclotetradeca[b]furan-5-yl acetate > 3.75 > 3.698613791333334 > -4.26 > 0 > 2 > 0 > 14.022020624162398 > -3.226568178991367 > 72.83 > 105.32509999999998 > 2 > 1 > 2.05e-02 g/l > (3aR,5S,6R,15aS)-6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3aH,4H,5H,7H,8H,11H,12H,15H,15aH-cyclotetradeca[b]furan-5-yl acetate > 0 > NP0077935 > (+)-Crassocolide C $$$$