Mrv1652309052201192D 27 30 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 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 0 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 1 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 1 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 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 18 23 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 25 27 1 6 0 0 0 M END > NP0203784 > NP-MRD > CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1OC1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@@]11CO1 > InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16?,17-,18+,19+/m0/s1 > TVZHDVCTOCZDNE-MVLSMBSHSA-N > C19H26O8 > 382.409 > 382.162767797 > 6 > 53 > 38.111544554685885 > 1 > 2 > 0 > 0 > [(1'R,2R,2'R,4'S,7'R,10'R,11'S)-11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate > -0.8538114616666654 > 0 > 4 > 0 > 14.598802152116285 > 13.059188090954574 > -2.9800231608972485 > 114.82000000000002 > 90.6152 > 5 > 1 > (1'R,2R,2'R,4'S,7'R,10'R,11'S)-11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-ylmethyl acetate > 0 > NP0203784 > (1'r,2r,2'r,4's,7'r,10'r,11's)-11'-(acetyloxy)-4',10'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate $$$$