Mrv1533004171508442D 22 24 0 0 0 0 999 V2000 -0.1767 -2.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -1.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 -1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 -2.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -0.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 -0.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9194 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -0.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 -1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2685 -1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 -1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 -2.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9614 -2.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -2.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -2.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 -1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 0.6365 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 11 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 4 21 1 0 0 0 0 8 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > NP0276398 > NP-MRD > CC(C)C1(O)CCC2(C)CC3C(C)=CC=CC3(C)C(=O)CC12 > InChI=1S/C20H30O2/c1-13(2)20(22)10-9-18(4)12-15-14(3)7-6-8-19(15,5)17(21)11-16(18)20/h6-8,13,15-16,22H,9-12H2,1-5H3 > DPCRJMSIFGEPEE-UHFFFAOYSA-N > C20H30O2 > 302.458 > 302.224580206 > 2 > 52 > 35.567851324310084 > 1 > 1 > 0 > 1 > 1-hydroxy-3a,5,8a-trimethyl-1-(propan-2-yl)-1H,2H,3H,3aH,4H,4aH,8aH,9H,10H,10aH-cyclohexa[f]azulen-9-one > 4.42 > 3.9779471596666656 > -4.07 > 0 > 3 > 0 > 17.953260303417558 > 14.336440898061735 > -3.088805493428775 > 37.3 > 91.98489999999998 > 1 > 1 > 2.58e-02 g/l > 1-hydroxy-1-isopropyl-3a,5,8a-trimethyl-2H,3H,4H,4aH,10H,10aH-cyclohexa[f]azulen-9-one > 1 > NP0276398 > 1-hydroxy-1-isopropyl-3a,5,8a-trimethyl-2h,3h,4h,4ah,10h,10ah-cyclohexa[f]azulen-9-one $$$$