Mrv1652309042204312D 26 29 0 0 1 0 999 V2000 -2.7475 0.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9272 0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -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 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 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 9 8 1 1 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 7 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > NP0186608 > NP-MRD > COC[C@@H]1[C@H]2C[C@]3([C@@H](CC2)[C@@]2(CCCC(C)(C)[C@H]2CO)COC3=O)C1=O > InChI=1S/C21H32O5/c1-19(2)7-4-8-20(16(19)10-22)12-26-18(24)21-9-13(5-6-15(20)21)14(11-25-3)17(21)23/h13-16,22H,4-12H2,1-3H3/t13-,14-,15+,16-,20-,21+/m1/s1 > ZNNJYKFHWZLLTN-AYZQKUJSSA-N > C21H32O5 > 364.482 > 364.22497413 > 4 > 58 > 40.2031278263275 > 1 > 1 > 0 > 1 > (1R,1'S,2R,6'S,9'R,10'S)-2-(hydroxymethyl)-10'-(methoxymethyl)-3,3-dimethyl-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 2.5952167269999986 > 0 > 4 > 0 > 18.419271398507707 > 15.432444303030604 > -2.6094527348876966 > 72.83000000000001 > 96.76749999999998 > 3 > 1 > (1R,1'S,2R,6'S,9'R,10'S)-2-(hydroxymethyl)-10'-(methoxymethyl)-3,3-dimethyl-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 0 > NP0186608 > (1r,1's,2r,6's,9'r,10's)-2-(hydroxymethyl)-10'-(methoxymethyl)-3,3-dimethyl-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione $$$$