Mrv1652309112213262D 25 28 0 0 1 0 999 V2000 -1.5934 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 -0.0536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3405 -0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -1.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 -0.6618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2321 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1943 0.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5250 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 0.6824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9953 1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -0.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0329 -0.6099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0256 0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4545 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 -0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2729 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 -1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -1.0161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7582 -1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 -2.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 -1.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -1.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6211 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 -1.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 7 6 1 1 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 5 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 2 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 5 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0313715 > NP-MRD > C[C@@H]1[C@H]2C[C@]3([C@@H]([C@H](O)C2)[C@@]2(CCCC(C)(C)[C@H]2C=O)COC3=O)C1=O > InChI=1S/C20H28O5/c1-11-12-7-13(22)15-19(6-4-5-18(2,3)14(19)9-21)10-25-17(24)20(15,8-12)16(11)23/h9,11-15,22H,4-8,10H2,1-3H3/t11-,12-,13-,14-,15+,19+,20+/m1/s1 > DLDPXPARISOLCS-TXHXOCHASA-N > C20H28O5 > 348.439 > 348.193674002 > 4 > 53 > 36.90693122891051 > 1 > 1 > 0 > 1 > (1R,1'S,2R,6'S,7'R,9'S,10'R)-7'-hydroxy-3,3,10'-trimethyl-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2-carbaldehyde > 2.0599306343333335 > 0 > 4 > 0 > 18.323635913509232 > 14.86235432010363 > -2.8588505847207477 > 80.66999999999999 > 90.74829999999997 > 1 > 1 > (1R,1'S,2R,6'S,7'R,9'S,10'R)-7'-hydroxy-3,3,10'-trimethyl-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2-carbaldehyde > 0 > NP0313715 > (1r,1's,2r,6's,7'r,9's,10'r)-7'-hydroxy-3,3,10'-trimethyl-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2-carbaldehyde $$$$