Mrv1652304292204082D 35 40 0 0 1 0 999 V2000 3.3541 -2.0743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9155 -1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 -0.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8100 -0.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2273 -0.9043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4555 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 -0.7627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9969 -0.0069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5083 0.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3254 0.5283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7725 1.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 1.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8428 2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1749 0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 -1.1326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5146 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -2.0706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6709 -1.3332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0840 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4866 -1.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 -2.2712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8880 -2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 -2.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 -1.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 -0.7855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0023 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -0.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 -2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 -1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 -0.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9194 -1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 -0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 1 6 1 0 0 0 0 5 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 4 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 8 15 1 6 0 0 0 7 16 1 1 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 16 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 18 23 1 0 0 0 0 22 24 1 1 0 0 0 7 25 1 6 0 0 0 4 26 1 0 0 0 0 26 27 1 0 0 0 0 1 27 1 6 0 0 0 26 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 3 34 1 0 0 0 0 34 35 1 0 0 0 0 3 35 1 6 0 0 0 M END > NP0081179 > NP-MRD > CC(C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5C[C@@H](O)O[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 > InChI=1S/C26H38O9/c1-12(2)21(29)35-23-26-17(9-16(32-23)10-25(26)11-30-25)24(5,13(3)6-19(26)31-14(4)27)18-7-15-8-20(28)34-22(15)33-18/h12-13,15-20,22-23,28H,6-11H2,1-5H3/t13-,15+,16-,17-,18+,19+,20+,22-,23-,24+,25+,26+/m1/s1 > BKNXMAVBDJZREO-MSBZVKQZSA-N > C26H38O9 > 494.581 > 494.251582804 > 7 > 73 > 52.03010004622307 > 1 > 1 > 0 > 0 > (1'R,2R,2'S,4'R,5'S,6'R,8'R,11'R)-5'-[(2S,3aS,5S,6aR)-5-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0^{1,6}]dodecane]-11'-yl 2-methylpropanoate > 1.81 > 2.248697317999998 > -3.62 > 1 > 6 > 0 > 12.39171063174857 > -3.7386005606606676 > 113.05000000000001 > 119.73169999999999 > 6 > 1 > 1.18e-01 g/l > (1'R,2R,2'S,4'R,5'S,6'R,8'R,11'R)-5'-[(2S,3aS,5S,6aR)-5-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0^{1,6}]dodecane]-11'-yl 2-methylpropanoate > 0 > NP0081179 > Scutalsin $$$$