Mrv1652304282211262D 22 24 0 0 1 0 999 V2000 -0.7145 -0.4125 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 0.0000 -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 1 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 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 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 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 1.4289 0.8250 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 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 3.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 2.5474 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 -0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 1 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 7 13 1 1 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 15 19 1 0 0 0 0 5 20 1 1 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 M END > NP0065192 > NP-MRD > CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1\C=C\C1=COC=C1 > InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18-,20+/m0/s1 > MXTCKNHXBBXULO-ZJDHVTHPSA-N > C20H26O2 > 298.426 > 298.193280077 > 1 > 48 > 34.824118277318235 > 1 > 0 > 0 > 1 > (4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one > 5.15 > 5.042893426999999 > -4.54 > 0 > 3 > 0 > -2.8287145857058547 > 30.21 > 91.12 > 2 > 0 > 8.62e-03 g/l > (4S,4aR,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one > 1 > NP0065192 > Hedychenone $$$$