Mrv1652309032205472D 25 27 0 0 1 0 999 V2000 5.2913 1.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6831 1.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9173 -0.1111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3149 0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3385 -0.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9398 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 -1.1544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7538 -1.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -2.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -1.6340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5727 -1.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -0.8304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7390 -0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -0.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 1.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 2.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6511 -0.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7302 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 -1.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -1.1296 0.0000 C 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 5 4 1 1 0 0 0 5 6 1 0 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 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 8 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 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 18 22 1 0 0 0 0 15 22 1 6 0 0 0 10 23 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > NP0168072 > NP-MRD > C[C@H]1CC[C@@H]2C(C)(C)[C@@H](CC[C@@]2(C)[C@]11CC\C(O1)=C\C=O)OC(C)=O > InChI=1S/C21H32O4/c1-14-6-7-17-19(3,4)18(24-15(2)23)9-11-20(17,5)21(14)12-8-16(25-21)10-13-22/h10,13-14,17-18H,6-9,11-12H2,1-5H3/b16-10-/t14-,17+,18+,20+,21-/m0/s1 > YUIOUOHLEHUTMC-YJJZLGLKSA-N > C21H32O4 > 348.483 > 348.23005951 > 3 > 57 > 39.41528189078722 > 1 > 0 > 0 > 1 > (1S,2S,4aR,5'Z,6R,8aR)-2,5,5,8a-tetramethyl-5'-(2-oxoethylidene)-octahydro-2H-spiro[naphthalene-1,2'-oxolane]-6-yl acetate > 4.61 > 3.3588716786666666 > -4.93 > 0 > 3 > 0 > -4.710406963199072 > 52.60000000000001 > 97.59059999999997 > 3 > 1 > 4.08e-03 g/l > (1S,2S,4aR,5'Z,6R,8aR)-2,5,5,8a-tetramethyl-5'-(2-oxoethylidene)-hexahydro-2H-spiro[naphthalene-1,2'-oxolane]-6-yl acetate > 0 > NP0168072 > (1s,2s,4ar,5'z,6r,8ar)-2,5,5,8a-tetramethyl-5'-(2-oxoethylidene)-hexahydro-2h-spiro[naphthalene-1,2'-oxolan]-6-yl acetate $$$$