Mrv1652309042218032D 30 33 0 0 1 0 999 V2000 3.9220 -1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2475 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 -1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 1.0193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3584 0.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1308 0.7849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7680 0.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 0.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6757 1.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 1.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 1.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 1.8331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3047 2.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 2.3972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0061 1.7227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1923 1.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 0.9307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6241 0.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 1.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 0.6177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0498 -0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 1.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 6 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 21 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 18 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 30 1 0 0 0 0 M END > NP0197743 > NP-MRD > CC(=O)OC[C@]12C[C@H](OC(C)=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)C11CO1 > InChI=1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21?/m0/s1 > BIQPSTSCCIEMEI-NCHBFNGESA-N > C21H28O9 > 424.446 > 424.173332482 > 6 > 58 > 42.350109390743064 > 1 > 1 > 0 > 0 > [(1'S,2'R,4'S,7'R,9'R,10'R,11'S)-4',11'-bis(acetyloxy)-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate > -0.4126860513333325 > 1 > 4 > 0 > 13.072305054496212 > -3.6419737691633562 > 120.89000000000001 > 99.7667 > 7 > 1 > (1'S,2'R,4'S,7'R,9'R,10'R,11'S)-4',11'-bis(acetyloxy)-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-ylmethyl acetate > 0 > NP0197743 > (1's,2'r,4's,7'r,9'r,10'r,11's)-4',11'-bis(acetyloxy)-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate $$$$