Mrv1652309042215462D 24 27 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 0 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 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 1 2 2 0 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 10 9 1 1 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 5 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0195834 > NP-MRD > CC1(C)CCC[C@]2(COC(=O)[C@@]34C[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1CO > InChI=1S/C20H28O4/c1-12-13-5-6-14-19(8-4-7-18(2,3)15(19)10-21)11-24-17(23)20(14,9-13)16(12)22/h13-15,21H,1,4-11H2,2-3H3/t13-,14+,15-,19-,20+/m1/s1 > CRJKTSIXXJOHPU-PULXTJHUSA-N > C20H28O4 > 332.44 > 332.198759382 > 3 > 52 > 36.366840211432624 > 1 > 1 > 0 > 1 > (1R,1'S,2R,6'S,9'R)-2-(hydroxymethyl)-3,3-dimethyl-10'-methylidene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 3.1411827509999997 > 0 > 4 > 0 > 15.432892440029295 > -2.6094528467311857 > 63.6 > 90.04499999999999 > 1 > 1 > (1R,1'S,2R,6'S,9'R)-2-(hydroxymethyl)-3,3-dimethyl-10'-methylidene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 0 > NP0195834 > (1r,1's,2r,6's,9'r)-2-(hydroxymethyl)-3,3-dimethyl-10'-methylidene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione $$$$