Mrv1652309052210522D 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 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 1 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 4.5645 -1.5061 0.0000 O 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 6 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 11 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 > NP0210861 > NP-MRD > C[C@@]1(CO)CCC[C@]2(COC(=O)[C@@]34C[C@@H](CC[C@@H]23)C(=C)C4=O)[C@@H]1CO > InChI=1S/C20H28O5/c1-12-13-4-5-14-19(7-3-6-18(2,10-22)15(19)9-21)11-25-17(24)20(14,8-13)16(12)23/h13-15,21-22H,1,3-11H2,2H3/t13-,14+,15-,18+,19-,20+/m1/s1 > IESLWBVKXPGPQJ-UGCNJCKESA-N > C20H28O5 > 348.439 > 348.193674002 > 4 > 53 > 37.33796294851607 > 1 > 2 > 0 > 1 > (1R,1'S,2R,3R,6'S,9'R)-2,3-bis(hydroxymethyl)-3-methyl-10'-methylidene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 1.8604115943333324 > 0 > 4 > 0 > 15.6031808518436 > 14.93629057816241 > -2.611442168617968 > 83.83000000000001 > 91.81969999999998 > 2 > 1 > (1R,1'S,2R,3R,6'S,9'R)-2,3-bis(hydroxymethyl)-3-methyl-10'-methylidene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-2',11'-dione > 0 > NP0210861 > (1r,1's,2r,3r,6's,9'r)-2,3-bis(hydroxymethyl)-3-methyl-10'-methylidene-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecane]-2',11'-dione $$$$