Mrv1652304282211482D 23 25 0 0 1 0 999 V2000 -0.7145 -0.4125 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 -1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 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 2.1434 -1.2375 0.0000 C 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 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 1.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 2.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 2.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 2.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8163 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 O 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 1 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 9 12 1 6 0 0 0 8 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 15 19 2 0 0 0 0 8 20 1 6 0 0 0 5 21 1 1 0 0 0 4 22 1 6 0 0 0 1 23 1 6 0 0 0 M END > NP0065623 > NP-MRD > C[C@@H]1CC[C@]2(C)[C@H](C)C(=O)[C@H](O)C[C@@H]2[C@@]1(C)CCC1=COC=C1 > InChI=1S/C20H30O3/c1-13-5-8-20(4)14(2)18(22)16(21)11-17(20)19(13,3)9-6-15-7-10-23-12-15/h7,10,12-14,16-17,21H,5-6,8-9,11H2,1-4H3/t13-,14-,16-,17-,19+,20-/m1/s1 > JSJAQPXCRQOCSF-NTSLAIKJSA-N > C20H30O3 > 318.457 > 318.219494826 > 2 > 53 > 36.444077427433946 > 1 > 1 > 0 > 1 > (1S,3R,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-1,5,6,8a-tetramethyl-decahydronaphthalen-2-one > 4.18 > 4.496883498 > -4.36 > 0 > 3 > 0 > 13.390518090055735 > -2.7841455201467906 > 50.44 > 90.6689 > 3 > 1 > 1.38e-02 g/l > (1S,3R,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-1,5,6,8a-tetramethyl-hexahydro-1H-naphthalen-2-one > 0 > NP0065623 > 2alpha-Hydroxy-3-oxo-4betaH-ent-cleroda-13(16),14-diene-15,16-oxide $$$$