Mrv1652306192119263D 57 59 0 0 0 0 999 V2000 0.2040 1.4824 -2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 0.7986 -1.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 0.6518 -2.1707 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4237 -0.8241 -2.3433 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9914 -1.6708 -1.1221 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5235 -3.1490 -1.1205 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0689 -3.1785 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 -3.9620 -2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -3.6018 -3.5014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 -5.2172 -2.0536 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1289 -3.8068 0.2265 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6430 -3.7069 0.5437 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1492 -2.2641 0.5263 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4494 -1.5035 -0.7949 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4639 -2.0715 -1.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1601 0.0508 -0.6033 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2654 0.3846 -0.0974 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4850 1.8323 0.3802 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8913 1.9352 0.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 2.3300 2.1360 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6937 3.1371 2.3736 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8459 4.4537 1.8358 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 2.3133 1.6009 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5839 3.1118 1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 1.2078 2.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 1.9600 -3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2756 1.5669 -2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 1.0890 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 1.1977 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5067 -0.8844 -2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 -1.1940 -3.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 -1.1998 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 -4.1965 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 -2.8527 -2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5179 -2.5381 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 -5.5918 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -3.3197 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 -4.8617 0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -4.1317 1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0597 -4.3165 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6124 -1.7298 1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9282 -2.2856 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 -1.9076 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2731 -1.6115 -2.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3512 -3.1497 -2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8408 0.3784 0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 0.1578 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 -0.2699 0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 2.5379 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8727 2.9090 2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9908 1.4237 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 3.2263 3.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 4.3698 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 2.4740 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 3.5493 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 3.9233 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3024 1.5608 3.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 18 23 1 0 0 0 0 14 15 1 6 0 0 0 6 8 1 6 0 0 0 23 21 1 0 0 0 0 6 7 1 0 0 0 0 16 2 1 0 0 0 0 13 12 1 0 0 0 0 11 6 1 0 0 0 0 6 5 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 14 5 1 0 0 0 0 12 11 1 0 0 0 0 21 20 1 0 0 0 0 2 1 2 3 0 0 0 20 19 1 0 0 0 0 8 9 2 0 0 0 0 18 19 1 0 0 0 0 8 10 1 0 0 0 0 5 4 1 0 0 0 0 5 32 1 1 0 0 0 4 3 1 0 0 0 0 23 25 1 1 0 0 0 3 2 1 0 0 0 0 21 22 1 0 0 0 0 13 14 1 0 0 0 0 23 24 1 0 0 0 0 16 14 1 0 0 0 0 18 49 1 6 0 0 0 21 52 1 1 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 16 46 1 1 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 10 36 1 0 0 0 0 25 57 1 0 0 0 0 22 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 M END > NP0025276 > NP-MRD > [H]OC(=O)[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]([H])(C(=C([H])[H])C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])[C@]1([H])OC([H])([H])[C@@]([H])(O[H])[C@@]1(O[H])C([H])([H])[H] > InChI=1S/C20H32O5/c1-12-6-7-14-18(2,8-5-9-19(14,3)17(22)23)13(12)10-16-20(4,24)15(21)11-25-16/h13-16,21,24H,1,5-11H2,2-4H3,(H,22,23)/t13-,14+,15+,16-,18+,19-,20-/m0/s1 > FNYRUDPDRBZKNC-LWZJPHJSSA-N > C20H32O5 > 352.471 > 352.22497413 > 5 > 57 > 38.48485084685177 > 1 > 3 > 0 > 1 > (1S,4aR,5S,8aR)-5-{[(2S,3S,4R)-3,4-dihydroxy-3-methyloxolan-2-yl]methyl}-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid > 2.37 > 2.5312253899999995 > -2.93 > 0 > 3 > -1 > 12.800845650975205 > 4.519272454677492 > -3.601581031594006 > 86.99000000000001 > 93.73899999999999 > 3 > 1 > 4.13e-01 g/l > (1S,4aR,5S,8aR)-5-{[(2S,3S,4R)-3,4-dihydroxy-3-methyloxolan-2-yl]methyl}-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid > 0 > NP0025276 > 12R,13R,14S-trihydroxylabda-12,15-epoxy-8(17)-en-19-oic acid $$$$