Mrv1652306212102153D 32 33 0 0 0 0 999 V2000 -1.7241 0.0634 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.9522 -0.2975 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3853 -2.3773 -0.8385 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6493 -3.0775 -1.3372 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7885 -3.0510 -0.3126 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1130 -1.6231 0.1956 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8204 -0.8420 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1165 -1.7128 1.3777 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3314 -0.3637 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3612 -0.0965 2.6594 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 0.6549 1.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0864 0.3769 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7999 -0.9553 0.7254 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3370 -1.7676 1.8283 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4054 -0.2447 -2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7402 0.1776 -1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 1.0529 -1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7158 -0.6833 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 -2.3546 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 -2.9887 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 -2.6239 -2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4091 -4.1209 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6822 -3.5071 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5091 -3.6953 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8296 -1.2380 -1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9268 0.2242 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -0.9267 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0883 -2.0779 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7706 -2.4095 2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4477 1.6032 2.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 1.1268 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5721 -1.3230 2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 2 13 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 13 12 1 0 0 0 0 12 11 2 0 0 0 0 11 9 1 0 0 0 0 9 8 1 0 0 0 0 6 13 1 0 0 0 0 9 10 2 0 0 0 0 6 7 1 6 0 0 0 4 3 1 0 0 0 0 13 14 1 1 0 0 0 4 5 1 0 0 0 0 2 1 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 2 18 1 1 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 12 31 1 0 0 0 0 11 30 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 14 32 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 M END > NP0042650 > NP-MRD > [H]O[C@]12C([H])=C([H])C(=O)C([H])([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H] > InChI=1S/C12H18O2/c1-9-4-3-6-11(2)8-10(13)5-7-12(9,11)14/h5,7,9,14H,3-4,6,8H2,1-2H3/t9-,11+,12+/m1/s1 > RTYOTMKUFIVWRN-USWWRNFRSA-N > C12H18O2 > 194.274 > 194.13067982 > 2 > 32 > 21.552982937836752 > 1 > 1 > 0 > 1 > (4aR,5R,8aS)-4a-hydroxy-5,8a-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one > 1.72 > 2.1470950156666673 > -2.31 > 0 > 2 > 0 > 19.470703828160037 > 13.757893020793443 > -3.342094683041606 > 37.3 > 56.158500000000004 > 0 > 1 > 9.53e-01 g/l > (4aR,5R,8aS)-4a-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one > 1 > NP0042650 > (4R,5R,10S)-5-hydroxy-11,12,13-trinoreudesm-6-en-8-one $$$$