Mrv1652306192122123D 45 47 0 0 0 0 999 V2000 -1.3354 -1.8571 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3866 -0.9160 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -0.2150 1.0392 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2530 1.2848 0.7971 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6784 0.6483 0.6513 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8820 0.1730 -0.8022 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6055 -0.5090 -1.3776 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9732 -1.6808 -2.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4768 -1.4482 -3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 -2.7480 -4.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 -0.3496 -3.8757 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 -0.4743 1.6745 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8447 -1.8642 1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3841 -0.1724 3.1819 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5007 0.9130 3.7736 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7218 2.2668 3.1248 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0071 2.4485 1.7787 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5120 2.6155 1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5459 3.7445 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 -2.1183 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 -2.3952 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 -0.3451 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 1.6638 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 1.2589 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 -0.4912 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 1.0395 -1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0803 0.1993 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5727 -3.2755 -3.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 -2.5518 -5.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 -3.3578 -4.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 -2.2022 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8942 -1.8604 1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -2.6259 2.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 0.0669 3.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 -1.0838 3.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7565 1.0006 4.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5527 0.6189 3.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 2.4350 3.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 3.0443 3.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 3.4625 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 1.7249 2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 2.7964 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 3.9563 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 4.6087 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 3.6668 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 16 15 1 0 0 0 0 7 2 1 0 0 0 0 7 8 1 0 0 0 0 4 5 1 0 0 0 0 5 24 1 1 0 0 0 7 6 1 0 0 0 0 4 23 1 6 0 0 0 5 12 1 0 0 0 0 17 18 1 1 0 0 0 2 3 1 0 0 0 0 2 1 2 3 0 0 0 4 17 1 0 0 0 0 17 19 1 0 0 0 0 3 4 1 0 0 0 0 12 13 1 6 0 0 0 12 3 1 0 0 0 0 12 14 1 0 0 0 0 8 9 1 0 0 0 0 5 6 1 0 0 0 0 9 10 1 0 0 0 0 17 16 1 0 0 0 0 9 11 2 0 0 0 0 7 27 1 6 0 0 0 3 22 1 1 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 M END > NP0028270 > NP-MRD > [H]C([H])=C1[C@]2([H])[C@]3([H])[C@]([H])(C([H])([H])[C@@]1([H])OC(=O)C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C3(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C17H26O2/c1-10-13(19-11(2)18)9-12-15-14(10)17(12,5)8-6-7-16(15,3)4/h12-15H,1,6-9H2,2-5H3/t12-,13+,14+,15-,17+/m0/s1 > RCEFXIVQCAIFDV-SOXILONMSA-N > C17H26O2 > 262.393 > 262.193280077 > 1 > 45 > 31.01314329025728 > 1 > 0 > 0 > 1 > (1S,2R,7S,8R,10R)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.0^{2,8}]undecan-10-yl acetate > 3.30 > 3.3694061999999994 > -5.00 > 0 > 3 > 0 > -7.0138746719996865 > 26.3 > 75.2889 > 2 > 1 > 2.63e-03 g/l > (1S,2R,7S,8R,10R)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.0^{2,8}]undecan-10-yl acetate > 1 > NP0028270 > (-)-4-epi-marsupellol acetate $$$$