Mrv1652309102222432D 25 26 0 0 1 0 999 V2000 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9684 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 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 1.4289 -1.6500 0.0000 C 0 0 1 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 0.0000 -1.6500 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 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 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 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 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 3.5724 -0.4125 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 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 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 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 1 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 17 12 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 17 24 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 1 0 0 0 M END > NP0305142 > NP-MRD > CC(=O)O[C@@H]1C=C(C)[C@H](CC[C@@](C)(O)C=C)[C@@]2(C)CCCC(C)(C)[C@H]12 > InChI=1S/C22H36O3/c1-8-21(6,24)13-10-17-15(2)14-18(25-16(3)23)19-20(4,5)11-9-12-22(17,19)7/h8,14,17-19,24H,1,9-13H2,2-7H3/t17-,18+,19-,21-,22+/m0/s1 > ZYHRTPDAOUUHIO-HIHICTBBSA-N > C22H36O3 > 348.527 > 348.266445019 > 2 > 61 > 40.99513746405282 > 1 > 1 > 0 > 1 > (1R,4S,4aR,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl acetate > 4.534754006000002 > 0 > 2 > 0 > 18.327628376467874 > -1.343294421075064 > 46.53 > 102.7408 > 6 > 1 > (1R,4S,4aR,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyl-1,4,5,6,7,8a-hexahydronaphthalen-1-yl acetate > 0 > NP0305142 > (1r,4s,4ar,8as)-4-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-3,4a,8,8-tetramethyl-1,4,5,6,7,8a-hexahydronaphthalen-1-yl acetate $$$$