Mrv1652309092202502D 25 27 0 0 1 0 999 V2000 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3276 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 2.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 3.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 2.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4593 1.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 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 14 18 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 5 24 1 0 0 0 0 9 24 1 0 0 0 0 24 25 1 6 0 0 0 M END > NP0276610 > NP-MRD > COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CCOC3)[C@H](C)C[C@H](O)[C@@]12C > InChI=1S/C21H32O4/c1-14-12-18(22)21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)10-8-15-9-11-25-13-15/h6,9,14,17-18,22H,5,7-8,10-13H2,1-4H3/t14-,17-,18+,20+,21+/m1/s1 > RMDVTBQPOFJSNM-WTLMAMESSA-N > C21H32O4 > 348.483 > 348.23005951 > 3 > 57 > 40.14516990413437 > 1 > 1 > 0 > 1 > methyl (4aR,5S,6R,8S,8aR)-5-[2-(2,5-dihydrofuran-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate > 3.322418113 > 0 > 3 > 0 > 14.609678064588714 > -2.969526814548896 > 55.760000000000005 > 99.39269999999998 > 5 > 1 > methyl (4aR,5S,6R,8S,8aR)-5-[2-(2,5-dihydrofuran-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate > 0 > NP0276610 > methyl (4ar,5s,6r,8s,8ar)-5-[2-(2,5-dihydrofuran-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate $$$$