Mrv1652309092213032D 28 31 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 2 0 0 0 0 0 0 0 0 0 3.7273 -0.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1308 0.7849 0.0000 C 0 0 0 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 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 0.7954 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -0.9801 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 2 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 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 6 14 1 0 0 0 0 14 15 1 6 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 19 24 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 28 1 1 0 0 0 M END > NP0283698 > NP-MRD > CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]11CO1 > InChI=1S/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17-,18-,19+/m1/s1 > PIHGROVBUUNPDW-OHQJEHTLSA-N > C19H24O9 > 396.392 > 396.142032353 > 7 > 52 > 38.12898744622801 > 1 > 2 > 0 > 0 > [(1'S,2S,2'R,3'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate > -1.0054422166666663 > 0 > 4 > 0 > 13.24316590145023 > 12.58059627962131 > -3.6420449221452804 > 131.89000000000001 > 91.13109999999999 > 5 > 1 > (1'S,2S,2'R,3'S,7'R,9'R,10'R,11'S)-11'-(acetyloxy)-3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-ylmethyl acetate > 0 > NP0283698 > (1's,2s,2'r,3's,7'r,9'r,10'r,11's)-11'-(acetyloxy)-3',10'-dihydroxy-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate $$$$