Mrv1652304292204582D 29 34 0 0 1 0 999 V2000 5.8544 2.2033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5337 1.3754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8872 0.5799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7399 0.3148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4397 0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2158 0.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 1.6259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7037 2.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 1.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8673 -0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1373 -0.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3769 -0.4620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1385 0.3387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9099 0.7665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3135 1.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2753 2.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 3.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4606 2.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 3.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7899 1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2798 0.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5884 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -0.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 0.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 1 8 1 1 0 0 0 7 9 1 6 0 0 0 3 9 1 6 0 0 0 4 10 1 1 0 0 0 3 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 1 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 15 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 14 26 1 6 0 0 0 26 27 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 1 0 0 0 11 29 1 1 0 0 0 M END > NP0081914 > NP-MRD > CC1(C)CC[C@@H]2OC(C)(C)O[C@H]3C[C@@H]4C[C@@]5([C@H](O)C4=C)[C@@H]3[C@]22CO[C@]5(O)[C@@H](O)[C@H]12 > InChI=1S/C23H34O6/c1-11-12-8-13-15-21-10-27-23(26,22(15,9-12)17(11)24)18(25)16(21)19(2,3)7-6-14(21)29-20(4,5)28-13/h12-18,24-26H,1,6-10H2,2-5H3/t12-,13+,14+,15+,16-,17-,18+,21+,22+,23-/m1/s1 > SWSXUNGOPTYIGL-AYEPMMFHSA-N > C23H34O6 > 406.519 > 406.235538815 > 6 > 63 > 43.65133803269192 > 1 > 3 > 0 > 1 > (1S,2S,3R,6S,7S,8R,12S,16S,18S,20R)-9,9,14,14-tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.0^{1,6}.0^{2,16}.0^{3,8}.0^{3,12}]henicosane-6,7,20-triol > 1.30 > 1.167570739999999 > -2.47 > 0 > 6 > 0 > 13.619011510897849 > 10.688764111348128 > -3.2494123452736936 > 88.38000000000001 > 104.85480000000001 > 0 > 1 > 1.37e+00 g/l > (1S,2S,3R,6S,7S,8R,12S,16S,18S,20R)-9,9,14,14-tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.0^{1,6}.0^{2,16}.0^{3,8}.0^{3,12}]henicosane-6,7,20-triol > 0 > NP0081914 > Wikstroemioidin B $$$$