Mrv1652306192118583D 41 42 0 0 0 0 999 V2000 0.4324 -2.2081 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 -1.0627 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4314 -0.8478 2.7087 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1493 0.4627 3.2607 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1054 1.6724 2.3420 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5833 2.8129 2.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 1.3796 0.8913 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8750 1.2326 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 2.4271 -0.1336 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1468 1.6712 -1.4729 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2410 0.1680 -1.1275 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4042 -0.4805 -1.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 -0.1810 -1.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 -1.4768 -2.9725 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2453 -2.3559 -3.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 -0.7304 -4.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 0.1406 0.3955 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6764 -2.3729 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 -3.0289 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 -0.8252 2.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 -1.6831 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2259 0.3476 3.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.6635 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 1.9105 2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 2.9722 3.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3736 2.1613 1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 0.4333 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 1.0090 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 2.7741 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 3.3090 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 1.8612 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 2.0257 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 -0.3316 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 -2.1311 -2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 -2.8749 -2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0695 -1.7646 -3.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -3.1126 -4.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -1.4281 -5.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 -0.1500 -3.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 -0.0301 -4.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 0.3152 0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 7 5 1 0 0 0 0 2 1 2 3 0 0 0 7 17 1 0 0 0 0 7 8 1 1 0 0 0 5 6 1 0 0 0 0 4 3 1 0 0 0 0 11 12 1 0 0 0 0 4 5 1 0 0 0 0 5 24 1 6 0 0 0 3 2 1 0 0 0 0 11 33 1 1 0 0 0 2 17 1 0 0 0 0 12 13 2 0 0 0 0 17 11 1 0 0 0 0 12 14 1 0 0 0 0 11 10 1 0 0 0 0 14 15 1 0 0 0 0 10 9 1 0 0 0 0 14 16 1 0 0 0 0 9 7 1 0 0 0 0 17 41 1 6 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 6 25 1 0 0 0 0 14 34 1 1 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 M END > NP0024657 > NP-MRD > [H]O[C@]1([H])C([H])([H])C([H])([H])C(=C([H])[H])[C@]2([H])[C@@]([H])(C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H] > InChI=1S/C15H24O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12+,13+,15-/m0/s1 > OQRJYRPZPATIRR-JLNYLFASSA-N > C15H24O2 > 236.355 > 236.177630013 > 2 > 41 > 27.729934793752342 > 1 > 1 > 0 > 1 > 1-[(1S,3aR,4R,7aS)-4-hydroxy-3a-methyl-7-methylidene-octahydro-1H-inden-1-yl]-2-methylpropan-1-one > 2.15 > 3.026794444666667 > -2.85 > 0 > 2 > 0 > 19.837621505788846 > -0.6828242835375143 > 37.3 > 68.8111 > 2 > 1 > 3.31e-01 g/l > 1-[(1S,3aR,4R,7aS)-4-hydroxy-3a-methyl-7-methylidene-hexahydro-1H-inden-1-yl]-2-methylpropan-1-one > 1 > NP0024657 > Teclenone B $$$$