Mrv1652304282218472D 18 19 0 0 1 0 999 V2000 -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 -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 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 1 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 -1.6500 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 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 O 0 0 0 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 0.7145 0.4125 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 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 1 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 3 10 1 0 0 0 0 9 11 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 8 14 1 6 0 0 0 7 15 1 6 0 0 0 4 16 1 1 0 0 0 2 17 1 0 0 0 0 17 18 2 0 0 0 0 M END > NP0071404 > NP-MRD > CC(C)[C@@H]1C[C@H]2C(C=O)=CCC[C@]2(C)[C@H](O)[C@@H]1O > InChI=1S/C15H24O3/c1-9(2)11-7-12-10(8-16)5-4-6-15(12,3)14(18)13(11)17/h5,8-9,11-14,17-18H,4,6-7H2,1-3H3/t11-,12-,13+,14+,15-/m0/s1 > KAQCTOHOWHIWCT-AHDPXTMNSA-N > C15H24O3 > 252.354 > 252.172544633 > 3 > 42 > 28.274774156166423 > 1 > 2 > 0 > 1 > (4aS,5S,6R,7S,8aR)-5,6-dihydroxy-4a-methyl-7-(propan-2-yl)-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde > 2.03 > 1.6722706053333343 > -2.11 > 0 > 2 > 0 > 14.976408443678412 > 13.529778243523424 > -3.2631912766130053 > 57.53 > 71.26669999999999 > 2 > 1 > 1.97e+00 g/l > (4aS,5S,6R,7S,8aR)-5,6-dihydroxy-7-isopropyl-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-1-carbaldehyde > 0 > NP0071404 > (+)-Kikkanol C $$$$