Mrv1652304292201042D 31 32 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 2 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 0.2529 2.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 3.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6349 2.6975 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 10 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 9 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 8 23 1 6 0 0 0 23 24 2 0 0 0 0 6 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 5 29 1 1 0 0 0 5 30 1 6 0 0 0 1 31 1 0 0 0 0 M END > NP0077934 > NP-MRD > CC(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)C2=C)[C@@H](OC(C)=O)\C(C)=C\CC\C(C)=C/CC[C@@]1(C)O > InChI=1S/C24H34O7/c1-14-9-7-11-15(2)21(30-18(5)26)22-19(16(3)23(27)31-22)13-20(29-17(4)25)24(6,28)12-8-10-14/h10-11,19-22,28H,3,7-9,12-13H2,1-2,4-6H3/b14-10-,15-11+/t19-,20+,21+,22-,24-/m1/s1 > LAMMZPFXVZNLLB-WRVATOQDSA-N > C24H34O7 > 434.529 > 434.230453435 > 4 > 65 > 46.52828308766192 > 1 > 1 > 0 > 1 > (3aR,5S,6R,15S,15aR)-15-(acetyloxy)-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 > 2.98 > 3.2207430546666664 > -4.53 > 0 > 2 > 0 > 14.022018552610458 > -3.226569085088186 > 99.13000000000001 > 115.68409999999999 > 4 > 1 > 1.30e-02 g/l > (3aR,5S,6R,15S,15aR)-15-(acetyloxy)-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 > NP0077934 > (+)-Crassocolide B $$$$